SCHEMBL25818154

SCHEMBL25818154

CC1(OC(=O)COc2ccc([SH]3CCCCC3)cc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
THRB P10828 3/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL25818152 0.85 MEN1 (0.37) THRBKDM4EALDH1A1HPGDLMNA
SCHEMBL12997497 0.82 CYP19A1 (0.46) CYP19A1THRBKDM4EALDH1A1HPGD
SCHEMBL12997495 0.80 CYP19A1 (0.44) CYP19A1THRBKDM4EALDH1A1HPGD
SCHEMBL25818159 0.80 CYP17A1 (0.42) CYP19A1LMNAGLAGAARAB9A
SCHEMBL27259451 0.79 MEN1 (0.49) CYP19A1ALDH1A1GAAPOLBRAB9A
SCHEMBL25818120 0.78 CYP17A1 (0.43) CYP19A1LMNAGLAGAARAB9A
SCHEMBL9626757 0.78 CYP19A1 (0.45) CYP19A1THRBKDM4EALDH1A1HPGD
SCHEMBL6272755 0.78 CYP19A1 (0.48) CYP19A1THRBKDM4EALDH1A1HPGD
SCHEMBL12997503 0.77 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1HPGDLMNA
SCHEMBL9627685 0.76 CYP19A1 (0.43) CYP19A1THRBKDM4EALDH1A1HPGD

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-11703756-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2023-07-18 US disclosed