SCHEMBL54044

SCHEMBL54044

CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.60
▸ MMP2 P08253 4/20 0.46
▸ ADAMTS4 O75173 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ SSTR4 P31391 1/20 0.44
▸ MMP3 P08254 1/20 0.43
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9394669 1.00 CYP3A4 (0.60) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL4452487 1.00 CYP3A4 (0.60) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11328600 0.85 MMP2 (0.45) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
Benzofuran SCHEMBL5614200 0.84 CYP3A4 (0.49) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11317507 0.84 CYP3A4 (0.44) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11314461 0.81 MMP2 (0.47) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL10311721 0.80 ADAMTS4 (0.48) MMP2ADAMTS4ADAMTS5SSTR4MMP3
SCHEMBL11326660 0.79 MMP2 (0.46) CYP3A4MMP2ADAMTS4ADAMTS5SSTR4
SCHEMBL11303236 0.79 CYP3A4 (0.52) CYP3A4MMP2KMT2A
SCHEMBL12310940 0.78 MMP2 (0.45) MMP2ADAMTS4ADAMTS5SSTR4MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 15146 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098020-A1 HERBICIDAL PYRIMIDINYLMETHYL-SUBSTITUTED 1,2,4-TRIAZOLES FMC CORP (US) 2026-04-09 — — US claimed
EP-4714942-A1 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC Corporation (US) 2026-03-25 — — EP claimed
US-20260060254-A1 HERBICIDAL COMPOSITIONS BAYER AG (DE) 2026-03-05 — — US claimed
EP-4691241-A1 METHOD FOR SELECTIVELY CONTROLLING WEEDS BASF SE (DE) 2026-02-11 — — EP claimed
EP-4683908-A1 SUBSTITUTED OXAZOLIDINONES AND IMIDAZOLINONES AS HERBICIDES FMC Corporation (US) 2026-01-28 — — EP claimed
US-20260007133-A1 HERBICIDAL COMPOSITION COMPRISING AZINE COMPOUNDS BASF SE (DE) 2026-01-08 — — US claimed
US-20250374926-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE IN CROP PROTECTION FORTEPHEST LTD. (IL) 2025-12-11 — — US claimed
EP-4188093-B9 SUBSTITUTED HALOALKYL SULFONANILIDE HERBICIDES FMC CORP (US) 2025-12-03 — — EP claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 — — EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 — — EP claimed
US-5362704-A Herbicidal tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1994-11-08 — — US claimed
EP-0612735-A1 1-(substituted phenyl) tetrazolinone derivatives, their preparation and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-31 — — EP claimed
EP-0332133-B1 Novel triazole compounds, process for producing the same, and herbicidal compositions containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-08-24 — — EP claimed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 — — WO claimed
EP-0578090-A2 Tetrazolinones as herbicides for use in a rice paddy NIHON BAYER AGROCHEM K.K. (JP) 1994-01-12 — — EP claimed
WO-1993021772-A2 SYNERGISTIC COMPOSITION AND PROCESS FOR SELECTIVE WEED CONTROL CIBA-GEIGY AG (CH) 1993-11-11 — — WO claimed
CN-1076585-A Synergistic herbicides and safeners HOECHST AG (DE) 1993-09-29 — — CN claimed
EP-0332133-A1 Novel triazole compounds, process for producing the same, and herbicidal compositions containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1989-09-13 — — EP claimed
CN-1034467-A Benfuresate (benfure sate) composition SCHERING AG (DE) 1989-08-09 — — CN claimed
EP-0326305-A2 Benfuresate mixtures SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-02 — — EP claimed
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