SCHEMBL10489678

SCHEMBL10489678

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ GAA P10253 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ KMT2A Q03164 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 3/20 0.43

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 0.91 RAB9A (0.50) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL10489904 0.90 RAB9A (0.60) ALDH1A1GAASMN1; SMN2HTTTDP1
SCHEMBL10489991 0.86 RAB9A (0.44) ALDH1A1GAASMN1; SMN2HTTL3MBTL1
SCHEMBL10489739 0.84 CLCN2 (0.45) ALDH1A1HTTKDM4EHPGD
SCHEMBL8654626 0.84 GAA (0.56) ALDH1A1GAASMN1; SMN2HTTRAB9A
SCHEMBL10489704 0.82 TRPV1 (0.45) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL10489988 0.81 FAAH (0.46) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL10489667 0.80 PPARA (0.49) RAB9ANPC1PPARGNPSR1
SCHEMBL10489851 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL10489802 0.79 PPARA (0.54) PPARGKDM4E

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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