SCHEMBL11773788

SCHEMBL11773788

COc1ccc(SCC(=O)c2ccc(Cl)cc2)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ KMT2A Q03164 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ CDC25A P30304 2/20 0.46
▸ CDC25B P30305 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ HDAC3 O15379 1/20 0.45

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 0.93 RAB9A (0.69) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL11770433 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL11774987 0.81 RAB9A (0.67) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL11774864 0.80 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL11768536 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL28495995 0.77 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL4842294 0.74 POLB (0.71) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL7769541 0.74 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL823582 0.73 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AMAPTMEN1POLB
SCHEMBL11770861 0.72 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMAPT

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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