SCHEMBL31566429

SCHEMBL31566429

O=C(O)c1cccc2c1OCC21CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
ALOX5 P09917 1/20 0.36
RBP4 P02753 1/20 0.36
S1PR5 Q9H228 3/20 0.34
S1PR1 P21453 2/20 0.34
TSHR P16473 2/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
ALB P02768 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL21845225 0.85 PARP1 (0.38) PTGS1PTGS2ALDH1A1ALOX15ALOX5
SCHEMBL31566421 0.81 ALOX5 (0.42) ALDH1A1ALOX15ALOX5TSHRKDM4E
SCHEMBL20524919 0.80 PTGS1 (0.52) PTGS1PTGS2ALDH1A1ALOX15ALOX5
SCHEMBL22235420 0.80 PTGS1 (0.38) PTGS1PTGS2ALDH1A1ALOX15ALOX5
SCHEMBL9056358 0.78 PTGS1 (0.36) PTGS1PTGS2ALDH1A1ALOX15TSHR
SCHEMBL21012650 0.75 ALDH1A1 (0.33) ALDH1A1ALOX15ALOX5RBP4TSHR
SCHEMBL21828706 0.74 HNF4A (0.44) PTGS1PTGS2ALDH1A1ALOX15BRD4
SCHEMBL31359428 0.72 HTR1A (0.38)
SCHEMBL21936943 0.72 CD44 (0.30) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL31304876 0.72 CD44 (0.30) ALDH1A1TSHRHSD17B10HPGDCYP3A4

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
CN-119841803-A Amide substituted heteroaryl compounds, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-04-18 CN disclosed