SCHEMBL17997449

SCHEMBL17997449

Cc1ccc(C(=Cc2ccc(-c3ccc(C(=Cc4ccc(Nc5ccc(C)cc5C)cc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 3/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GFER P55789 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KDR P35968 1/20 0.39
HPGD P15428 2/20 0.38
ESR1 P03372 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37

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
SCHEMBL13007202 0.96 PTGS2 (0.51) PTGS2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17997446 0.91 MAPT (0.42) PTGS2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17997457 0.90 PTGS2 (0.50) PTGS2MAPTGAASMN1; SMN2RAB9A
SCHEMBL14079198 0.89 PTGS2 (0.44) PTGS2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL22893442 0.89 PTGS2 (0.44) PTGS2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17997452 0.87 PTGS2 (0.57) PTGS2MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17997465 0.86 RAPGEF4 (0.53) PTGS2MAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL13007203 0.86 PTGS2 (0.53) PTGS2MAPTGAASMN1; SMN2RAB9A
SCHEMBL17997442 0.86 PTGS2 (0.56) PTGS2MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL17997464 0.84 PTGS2 (0.44) PTGS2MAPTGAASMN1; SMN2ALDH1A1

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
US-20160231658-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2016-08-11 US disclosed