SCHEMBL11770433

SCHEMBL11770433

COc1ccc(C(=O)CSc2ccc(C)cc2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.70
▸ NPC1 O15118 5/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ POLB P06746 4/20 0.60
▸ HSP90AA1 P07900 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ TSHR P16473 4/20 0.52
▸ KLF10 Q13118 1/20 0.51
▸ HSD11B1 P28845 1/20 0.49
▸ HDAC6 Q9UBN7 4/20 0.49
▸ HDAC3 O15379 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49

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
SCHEMBL11771240 0.86 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBHSP90AA1
SCHEMBL11771856 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2POLBHSP90AA1
SCHEMBL11773788 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2POLBHSP90AA1
SCHEMBL28497894 0.76 NPC1 (0.63) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL11773180 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2POLBHSP90AA1
SCHEMBL11774864 0.75 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL5685556 0.75 RAB9A (0.53) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL4841745 0.74 NPC1 (0.58) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL4839307 0.74 NPC1 (0.58) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL12240321 0.73 AKR1C3 (0.50) RAB9ANPC1SMN1; SMN2POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 — — US disclosed
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