SCHEMBL31168086

SCHEMBL31168086

COC(=O)c1ccc(OC(F)(F)F)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ CFTR P13569 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 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
SCHEMBL29937566 0.88 MRGPRX4 (0.44) MRGPRX4CFTRABL1EPHX2ALDH1A1
SCHEMBL24391534 0.88 MRGPRX4 (0.44) MRGPRX4CFTRABL1EPHX2ALDH1A1
SCHEMBL896633 0.84 KDM4E (0.51) ALDH1A1LMNAKDM4EGAANPC1
SCHEMBL13068915 0.84 PTGS1 (0.44) MRGPRX4CFTRABL1EPHX2ALDH1A1
SCHEMBL30164066 0.82 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EGAAKMT2A
SCHEMBL23540289 0.82 KDM4E (0.47) ALDH1A1LMNAKDM4EHPGD
SCHEMBL5833870 0.81 CFTR (0.61) MRGPRX4CFTRALDH1A1LMNAKDM4E
SCHEMBL30294755 0.80 ALDH1A1 (0.50) MRGPRX4CFTRABL1EPHX2ALDH1A1
SCHEMBL6182518 0.79 KDM4E (0.47) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL29614665 0.79 CA12 (0.41) CFTRALDH1A1LMNAKDM4EGAA

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720053-A1 LACTAM PESTICIDAL COMPOUNDS BASF SE (DE) 2026-04-08 — — EP disclosed
WO-2024240859-A1 LACTAM PESTICIDAL COMPOUNDS BASF SE (DE) 2024-11-28 — — WO disclosed
EP-4467535-A1 LACTAM PESTICIDAL COMPOUNDS BASF SE (DE) 2024-11-27 — — EP disclosed
Send feedback