SCHEMBL16683026

SCHEMBL16683026

C=Cc1ccc(Oc2c(F)c(F)c(S(=O)(=O)O)c(F)c2F)c(C(=O)OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ ESRRA P11474 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16683134 0.79 ALDH1A1 (0.36) EPAS1TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL24812494 0.76 GABRA1 (0.35) TRPA1KDM4ETUBB1
SCHEMBL16683027 0.75 TRPA1 (0.38) CYP1A2TRPA1ALDH1A1HPGDKDM4E
SCHEMBL15189382 0.74 TDP1 (0.46) TDP1TP53ALDH1A1HPGDTSHR
SCHEMBL2742176 0.74 TDP1 (0.42) PTGS2TDP1ALDH1A1HPGDPTGS1
SCHEMBL16683024 0.73 CA12 (0.44) PTGS2TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL11922585 0.72 PTGS2 (0.45) PTGS2MCL1TRPA1ALDH1A1HPGD
SCHEMBL16683010 0.72 TDP1 (0.44) TDP1TP53ALDH1A1HPGDTSHR
SCHEMBL3892038 0.70 PTGS2 (0.49) PTGS2MCL1TRPA1TP53ALDH1A1
SCHEMBL30263061 0.70 PTGS2 (0.49) PTGS2MCL1TRPA1TP53ALDH1A1

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
US-20150118628-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM, METHOD OF FORMING PATTERN, PROCESS FOR MANUFACTURING SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2015-04-30 — — US disclosed
US-20150118628-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM, METHOD OF FORMING PATTERN, PROCESS FOR MANUFACTURING SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2015-04-30 — — US disclosed
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