SCHEMBL10489991

SCHEMBL10489991

CCc1cccc(NC(=O)Oc2ccc(SC)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ FAAH O00519 6/20 0.37
▸ CLCN2 P51788 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL10489876 0.87 RAB9A (0.50) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10489904 0.86 RAB9A (0.60) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10489678 0.86 ALDH1A1 (0.54) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL9150336 0.85 KMT2A (0.42) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL10489739 0.79 CLCN2 (0.45) ALDH1A1KDM4EHPGDHTTCLCN2
SCHEMBL10489704 0.79 TRPV1 (0.45) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10489988 0.78 FAAH (0.46) RAB9AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10489667 0.77 PPARA (0.49) RAB9ATRPV1FAAHNPC1NPSR1
SCHEMBL10489851 0.76 ALDH1A1 (0.56) RAB9AKMT2AMEN1ALDH1A1POLB
SCHEMBL10489802 0.76 PPARA (0.54) KDM4EMAPTFAAH

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-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 — — US disclosed
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