SCHEMBL25818006

SCHEMBL25818006

CC1(OC(=O)COc2ccc([SH]3C=Cc4ccccc43)cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 3/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25818005 0.87 MEN1 (0.32) MAPTL3MBTL1LMNAGAA
SCHEMBL25818003 0.81 CYP17A1 (0.40) CYP19A1MAPTL3MBTL1RAB9ALMNA
SCHEMBL27259451 0.77 MEN1 (0.49) CYP19A1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL25818154 0.76 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1HPGDGLA
SCHEMBL12997503 0.74 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1HPGDMAPT
SCHEMBL12997497 0.74 CYP19A1 (0.46) CYP19A1KDM4EALDH1A1HPGDGLA
SCHEMBL12997501 0.73 CYP19A1 (0.42) CYP19A1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL25689780 0.73 CYP19A1 (0.42) CYP19A1ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL12997495 0.72 CYP19A1 (0.44) CYP19A1KDM4EALDH1A1HPGDGLA
Hydrochloric Acid SCHEMBL31564947 0.72 CYP19A1 (0.44) CYP19A1ALDH1A1MAPTL3MBTL1RAB9A

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