SCHEMBL11774987

SCHEMBL11774987

O=C(CSc1ccc(Br)cc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ POLB P06746 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL11768536 0.82 RAB9A (0.72) RAB9ANPC1POLBHSP90AA1KMT2A
SCHEMBL11812476 0.81 PTPRG (0.60) RAB9ANPC1KMT2AMEN1METAP2
SCHEMBL11773788 0.81 RAB9A (0.65) RAB9ANPC1POLBHSP90AA1KMT2A
SCHEMBL11771240 0.78 RAB9A (0.69) RAB9ANPC1POLBHSP90AA1KMT2A
SCHEMBL11785264 0.77 KDM4E (0.46) RAB9ANPC1POLBHSP90AA1KMT2A
SCHEMBL11770861 0.73 RAB9A (0.55) RAB9ANPC1POLBHSP90AA1KMT2A
SCHEMBL29872309 0.72 NR4A1 (0.62) POLBSMN1; SMN2ALDH1A1MAPTMETAP2
SCHEMBL1247945 0.72 NR4A1 (0.62) POLBSMN1; SMN2ALDH1A1MAPTMETAP2
SCHEMBL1822194 0.72 NR4A1 (0.62) POLBSMN1; SMN2ALDH1A1MAPTMETAP2
SCHEMBL10874649 0.71 NPC1 (0.65) RAB9ANPC1POLBKMT2AMEN1

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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