SCHEMBL18512508

SCHEMBL18512508

CCC1CCC(CCC2CCC(C3CCC(c4cc(F)c(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
TRPV3 Q8NET8 1/20 0.30
OPRL1 P41146 3/20 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
SCHEMBL18512507 0.95 TRPV3 (0.32) ALDH1A1TRPV3
SCHEMBL8015649 0.95 TRPV3 (0.32) ALDH1A1TRPV3
SCHEMBL3437354 0.95 TRPV3 (0.32) ALDH1A1TRPV3
SCHEMBL7913623 0.95 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8736434 0.95 TRPV3 (0.32) ALDH1A1TRPV3
SCHEMBL8736323 0.95 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8015656 0.95 TRPV3 (0.32) ALDH1A1TRPV3
SCHEMBL21581477 0.92 ESR2 (0.36) CYP2C9ESR2OPRL1
SCHEMBL9763946 0.90 TRPV3 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8860603 0.90 TRPV3 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1

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-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed