SCHEMBL6869906

SCHEMBL6869906

N#Cc1ccc(-c2ccc(OC3CCCCO3)cc2)cc1C#CF

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.37
PGR P06401 1/20 0.36
TNK2 Q07912 3/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ACP1 P24666 1/20 0.32
DHFR P00374 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL15145198 0.76 AR (0.44) ARCYP11B1CYP11B2DHFR
SCHEMBL6869904 0.75 AR (0.40) ARTNK2CYP11B1CYP11B2
SCHEMBL3143065 0.74 HRH3 (0.52) ARTNK2
SCHEMBL3500438 0.73 TNK2 (0.44) TNK2ACP1DHFR
SCHEMBL6869901 0.72 TNK2 (0.34) ARTNK2CYP11B1CYP11B2DHFR
SCHEMBL17754323 0.72 HSD17B1 (0.40) TNK2CYP11B1CYP11B2ACP1DHFR
SCHEMBL15871182 0.71 TNK2 (0.43) TNK2ACP1DHFR
SCHEMBL4898823 0.71 TNK2 (0.43) TNK2ACP1DHFR
SCHEMBL217929 0.71 TNK2 (0.43) TNK2ACP1DHFR
SCHEMBL15100423 0.71 HSD11B1 (0.39) ARTNK2DHFR

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
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed