SCHEMBL9627685

SCHEMBL9627685

C=Cc1ccc(OCC(=O)OC2(C)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GPR35 Q9HC97 1/20 0.36
PARP1 P09874 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
THRB P10828 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
SCHEMBL9626757 0.99 CYP19A1 (0.45) CYP19A1PTGS2ALDH1A1HPGDGAA
SCHEMBL7666635 0.87 PTGS2 (0.38) CYP19A1PTGS2ALDH1A1HPGDGAA
SCHEMBL17247233 0.87 PTGS2 (0.36) CYP19A1PTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL9626669 0.86 CYP19A1 (0.43) CYP19A1ALDH1A1HPGDSMN1; SMN2CHRNB2
SCHEMBL17247246 0.86 THRB (0.38) CYP19A1PTGS2ALDH1A1HPGDKDM4E
SCHEMBL7667559 0.86 PTGS2 (0.35) CYP19A1PTGS2ALDH1A1HPGDGAA
SCHEMBL27259451 0.81 MEN1 (0.49) CYP19A1ALDH1A1GAASMN1; SMN2POLB
SCHEMBL6551325 0.81 PTGS2 (0.35) CYP19A1PTGS2ALDH1A1HPGDKDM4E
SCHEMBL7263965 0.81 PTGS2 (0.35) CYP19A1PTGS2ALDH1A1HPGDKDM4E
SCHEMBL12997495 0.80 CYP19A1 (0.44) CYP19A1ALDH1A1HPGDGAAKDM4E

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
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP claimed
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed