SCHEMBL9556124

SCHEMBL9556124

CCCC1CCC(CCC2COC(c3ccc(C#N)c(F)c3)OC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
AR P10275 3/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KDM1A O60341 4/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
FASN P49327 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL9556120 1.00 CYP11B1 (0.40) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL10349591 0.95 CYP11B1 (0.43) CYP11B1CYP11B2TRPV4KDM1AKDM4E
SCHEMBL9556003 0.93 CYP11B1 (0.39) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9555999 0.93 CYP11B1 (0.39) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556320 0.93 CYP11B1 (0.40) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556316 0.93 CYP11B1 (0.40) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556246 0.92 CYP11B1 (0.39) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556251 0.92 CYP11B1 (0.39) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556526 0.91 CYP11B1 (0.38) CYP11B1CYP11B2ARTRPV4KDM1A
SCHEMBL9556440 0.91 CYP11B1 (0.38) CYP11B1CYP11B2ARTRPV4KDM1A

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-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed