SCHEMBL14021492

SCHEMBL14021492

c1ccc(COc2cccc(COCCc3nnn[nH]3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ BCHE P06276 8/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ MAOB P27338 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL14021848 0.85 CYP4F2 (0.52) CYP4F2CYP4A11BCHEFFAR1MAOB
SCHEMBL10548729 0.84 CYSLTR1 (0.56) —
SCHEMBL3886612 0.83 BCHE (0.49) CYP4F2CYP4A11BCHEMAOBALDH1A1
SCHEMBL1745631 0.79 FFAR1 (0.57) FFAR1MAOB
SCHEMBL8192007 0.78 CYP4F2 (0.68) CYP4F2CYP4A11BCHEFFAR1MAOB
SCHEMBL14021516 0.78 LTA4H (0.46) BCHEMAOBLMNASMN1; SMN2MAOA
SCHEMBL14021496 0.77 CYSLTR2 (0.47) —
SCHEMBL10925207 0.77 HCAR2 (0.36) MAOBSMN1; SMN2MAOA
SCHEMBL9818406 0.77 CYSLTR1 (0.55) —
SCHEMBL3884175 0.76 MAOB (0.44) CYP4F2CYP4A11BCHEMAOBALDH1A1

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-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 — — US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 — — US disclosed
Send feedback