SCHEMBL31591724

SCHEMBL31591724

C=CCNc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LMNA P02545 1/20 0.41
CA5A P35218 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL1220014 1.00 CYP3A4 (0.47) CYP3A4TSHRKMT2AOPRM1OPRD1
SCHEMBL728274 0.86 CA12 (0.47) CYP3A4KMT2AALDH1A1CYP1A2CA12
SCHEMBL9488080 0.79 CA12 (0.41) ALDH1A1ACHECA12CA2CA9
SCHEMBL11508113 0.77 CYP3A4 (0.56) CYP3A4TSHRKMT2AALDH1A1CYP1A2
SCHEMBL2857440 0.77 MAPT (0.62) CYP3A4KMT2AALDH1A1CYP1A2ACHE
SCHEMBL6832452 0.77 MAPT (0.52) TSHRKMT2AALDH1A1CA12CA2
SCHEMBL4033840 0.77 TGM2 (0.50) KMT2AALDH1A1CYP1A2CA12CA2
SCHEMBL31497260 0.77 KMT2A (0.51) KMT2AALDH1A1CA12CA2CA9
SCHEMBL3803430 0.77 MAPT (0.59) CYP3A4KMT2AALDH1A1HDAC6CA12
SCHEMBL31482482 0.77 ENPP2 (0.42) ALDH1A1CA12CA2CA9CA1

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-120040658-A Self-thickening polyacrylamide and preparation method and application thereof 中海油田服务股份有限公司 2025-05-27 CN disclosed