SCHEMBL9228323

SCHEMBL9228323

CC(C)(C)c1cc(C=CC=O)cc(C(C)(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 1.00
▸ GABBR1 Q9UBS5 2/20 1.00
▸ PTGS1 P23219 4/20 0.56
▸ PTGS2 P35354 4/20 0.56
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ HTT P42858 1/20 0.52
▸ ALOX5 P09917 2/20 0.50
▸ EEF2K O00418 1/20 0.50
▸ SRC P12931 1/20 0.50
▸ CA2 P00918 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HIF1A Q16665 2/20 0.47

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
SCHEMBL9228329 1.00 GABBR2 (1.00) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL27718747 0.98 GABBR2 (0.96) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL1821479 0.83 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL1821480 0.83 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL29153370 0.80 GABBR2 (0.67) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL29153372 0.80 GABBR2 (0.67) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL85764 0.79 GABBR2 (0.66) GABBR2GABBR1PTGS1PTGS2CYP1A2
Water SCHEMBL1502206 0.78 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2CYP1A2
Water SCHEMBL1502204 0.78 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL20629917 0.78 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806011-A Propylene polymer composition and preparation method thereof 威高集团有限公司 2022-07-29 — — CN disclosed
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 — — EP disclosed
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 — — WO disclosed
CN-1086820-A The preparation method of the gem-diphosphonate derivatives that phenol replaces SYMPHAR SA (CH) 1994-05-18 — — CN disclosed
CN-1024555-C Phenol substituted gem-diphosphonate derivatives SYMPHAR SA (CH) 1994-05-18 — — CN disclosed
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 — — US disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 — — US disclosed
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