SCHEMBL11771240

SCHEMBL11771240

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.69
▸ NPC1 O15118 3/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ HDAC3 O15379 2/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48

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
SCHEMBL11773788 0.93 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11770433 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11768536 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11774987 0.78 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16527555 0.78 IDO1 (0.51) RAB9ASMN1; SMN2MEN1KMT2APKM
SCHEMBL11770861 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28495995 0.77 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11772304 0.77 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4841244 0.74 MAPT (0.73) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11774864 0.74 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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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