SCHEMBL8896503

SCHEMBL8896503

CC(=O)Oc1ccccc1C(C)=CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ HSD17B10 Q99714 5/20 0.66
▸ PTGS2 P35354 5/20 0.66
▸ HPGD P15428 4/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ ESR1 P03372 1/20 0.66
▸ ITGB3 P05106 1/20 0.66
▸ ITGA2B P08514 1/20 0.66
▸ HMGB1 P09429 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ GGT1 P19440 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ BLM P54132 1/20 0.66
▸ NAPRT Q6XQN6 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ MAPK1 P28482 2/20 0.51
▸ MAPT P10636 2/20 0.46

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
SCHEMBL7823036 0.84 CA12 (0.54) KDM4EHPGDALDH1A1LMNA
SCHEMBL10638390 0.84 KDM4E (0.49) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL10456693 0.80 KDM4E (1.00) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL1331740 0.80 KDM4E (1.00) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL1353 0.80 KDM4E (1.00) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL29350479 0.80 KDM4E (1.00) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL7580 0.80 KDM4E (1.00) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL20499122 0.79 KDM4E (0.83) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL21328429 0.78 KDM4E (0.96) KDM4EHSD17B10PTGS2HPGDALDH1A1
Aspirin SCHEMBL21488922 0.78 KDM4E (0.96) KDM4EHSD17B10PTGS2HPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9095487-A — — None — — JP disclosed
JP-H0995487-A BENZOTRIAZOLE COMPOUND AND HEAT-SENSITIVE RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1997-04-08 — — JP disclosed
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