SCHEMBL11094002

SCHEMBL11094002

Nc1ccccc1Oc1cccc2c1NC(=O)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
PDK2 Q15119 1/20 0.42
TDP2 O95551 3/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
MAP3K14 Q99558 1/20 0.40
SMYD3 Q9H7B4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR5A P47898 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL11094233 0.89 AHR (0.59) AHRPDK2TDP2CASP3CASP7
SCHEMBL22904252 0.82 TDP2 (0.51) AHRPDK2TDP2CASP3CASP7
SCHEMBL11091415 0.82 AHR (0.49) AHRPDK2TDP2CASP3CASP7
SCHEMBL11089493 0.82 AHR (0.71) AHRPDK2TDP2CASP3CASP7
SCHEMBL11088168 0.81 AHR (0.56) AHRPDK2TDP2CASP3CASP7
SCHEMBL11084619 0.81 AHR (0.47) AHRPDK2TDP2CASP3CASP7
SCHEMBL1654363 0.80 AHR (0.61) AHRPDK2TDP2CASP3CASP7
SCHEMBL3484676 0.78 AHR (0.56) AHRTDP2SMYD3HTR5AEGFR
SCHEMBL10714275 0.76 AHR (0.53) AHRPDK2TDP2CASP3CASP7
SCHEMBL11096499 0.76 AHR (0.66) AHRPDK2TDP2CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed