SCHEMBL16058386

SCHEMBL16058386

Cc1ccccc1Cc1cccn(C(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CTBP2 P56545 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ FFAR1 O14842 4/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL16057540 0.85 SLC16A3 (0.41) HPGDALDH1A1CTBP2POLBPTGS1
SCHEMBL17557049 0.83 POLB (0.44) HPGDALDH1A1POLBIDH1KMT2A
SCHEMBL16057210 0.78 CYSLTR2 (0.38) IDH1PTGER3TP53
SCHEMBL14975252 0.77 LIPG (0.44) PTGS2IDH1PTGER3
SCHEMBL17557051 0.76 FFAR1 (0.38) HPGDALDH1A1CTBP2POLBPTGS1
SCHEMBL14975640 0.74 NR1H2 (0.44) ALDH1A1IDH1FFAR1HTTKMT2A
SCHEMBL16058205 0.72 BID (0.50) —
SCHEMBL14975444 0.72 BID (0.50) —
SCHEMBL14975362 0.72 BID (0.50) —
SCHEMBL16058352 0.72 BID (0.50) —

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
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 — — WO disclosed
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