SCHEMBL31413635

SCHEMBL31413635

COC(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.64
CA2 P00918 3/20 0.64
PARP15 Q460N3 1/20 0.60
PARP10 Q53GL7 1/20 0.60
MAPT P10636 6/20 0.58
SRD5A2 P31213 3/20 0.58
TSHR P16473 2/20 0.57
RAB9A P51151 4/20 0.56
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
STS P08842 1/20 0.53
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL69218 0.92 CA1 (0.75) CA1CA2PARP15PARP10MAPT
SCHEMBL27555709 0.89 TSHR (0.70) CA1CA2MAPTTSHRRAB9A
Terephthalic Acid SCHEMBL8811649 0.89 TSHR (0.70) CA1CA2MAPTTSHRRAB9A
Terephthalic Acid SCHEMBL4349174 0.89 TSHR (0.70) CA1CA2MAPTTSHRRAB9A
SCHEMBL63466 0.89 TSHR (0.70) CA1CA2MAPTTSHRRAB9A
Terephthalic Acid SCHEMBL18394717 0.89 TSHR (0.70) CA1CA2MAPTTSHRRAB9A
SCHEMBL5608453 0.88 MAPT (0.71) CA1CA2PARP10MAPTSRD5A2
SCHEMBL9242690 0.88 MAPT (0.71) CA1CA2PARP10MAPTSRD5A2
SCHEMBL28479980 0.88 USP2 (0.55) CA1CA2PARP15PARP10MAPT
SCHEMBL11668494 0.87 TSHR (0.67) CA1CA2MAPTTSHRRAB9A

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-119816577-A Process for preparing a reaction product comprising a quaternary ammonium salt 路博润公司 2025-04-11 CN disclosed