SCHEMBL29217583

SCHEMBL29217583

C=CC(=O)Oc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HTT P42858 2/20 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
SCHEMBL29258048 0.89 KDM4E (0.41) KDM4ETSHRALDH1A1RAB9AHPGD
SCHEMBL30891537 0.88 KDM4E (0.41) KDM4ETSHRALDH1A1RAB9AHPGD
SCHEMBL8452785 0.86 TSHR (0.61) KDM4ETSHRALDH1A1RAB9AGAA
SCHEMBL27051774 0.85 TSHR (0.47) KDM4ETSHRALDH1A1RAB9AHSD17B10
SCHEMBL10533244 0.83 ESR1 (0.58) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL17393720 0.83 HSD17B2 (0.48) KDM4EALDH1A1RAB9AHPGDHSD17B10
SCHEMBL29944734 0.82 ALDH1A1 (0.58) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL821894 0.82 KDM4E (0.45) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL1468631 0.82 ALDH1A1 (0.58) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL11144692 0.82 CA12 (0.41) KDM4ETSHRALDH1A1RAB9AHPGD

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-111743783-B Double-paste type dental resin reinforced glass ion water-gate composition 株式会社松风 2024-04-16 CN disclosed