SCHEMBL9828259

SCHEMBL9828259

CCCC[C@H]1CC[C@H](CCC2CCC(c3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
AR P10275 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM1A O60341 4/20 0.35
CHEK1 O14757 2/20 0.35
FASN P49327 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PGR P06401 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL10524245 1.00 CYP2C9 (0.36) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL9349783 0.99 CYP2C9 (0.37) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL9349786 0.99 CYP2C9 (0.37) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL9416894 0.95 CYP2C9 (0.35) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL9416896 0.95 CYP2C9 (0.35) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL8077024 0.95 CYP2C9 (0.36) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL9344768 0.95 CYP2C9 (0.36) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL17190567 0.94 MAPT (0.37) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL5886452 0.94 MAPT (0.37) CYP2C9TRPV4ARALDH1A1LMNA
SCHEMBL5886450 0.94 MAPT (0.37) CYP2C9TRPV4ARALDH1A1LMNA

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-0280902-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1991-11-27 EP disclosed
US-4820443-A LOW VISCOSITY, LOW VOLTAGE CHISSO CORPORATION (JP) 1989-04-11 US disclosed