SCHEMBL10852486

SCHEMBL10852486

O=C(c1ccc2c(c1)Cc1ccccc1O2)C(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ ACSL1 P33121 1/20 0.45
▸ SRD5A2 P31213 1/20 0.40
▸ ALOX5 P09917 2/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL10848578 0.98 MAOA (0.50) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL10845978 0.85 MAOA (0.45) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL27736976 0.84 MAOA (0.59) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL6621488 0.83 SRD5A2 (0.58) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL9698365 0.83 MAOA (0.57) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL29429630 0.83 SRD5A2 (0.58) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL28014889 0.81 SRD5A2 (0.57) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL10845751 0.81 MAOA (0.55) MAOAMAOBACSL1SRD5A2NPC1
SCHEMBL28014981 0.80 MAOA (0.53) MAOAMAOBACSL1SRD5A2ALOX5
SCHEMBL14124825 0.78 SRD5A2 (0.51) MAOAMAOBACSL1SRD5A2ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 — — US claimed
US-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 — — US disclosed
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