SCHEMBL2909182

SCHEMBL2909182

CCC[C@H]1CC[C@H](C2CCC(O)(c3ccc(F)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
TLR4 O00206 2/20 0.33
CYP2C9 P11712 1/20 0.32
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
HDAC4 P56524 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
SCHEMBL2909179 1.00 OPRL1 (0.36) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL2909177 1.00 OPRL1 (0.36) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL14494616 1.00 OPRL1 (0.36) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL17916601 0.87 OPRM1 (0.35) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL20808301 0.86 OPRL1 (0.39) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL20808304 0.86 OPRL1 (0.39) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL20797012 0.86 OPRL1 (0.39) OPRL1OPRM1OPRK1TLR4CYP2C9
SCHEMBL20808413 0.83 OPRM1 (0.35) OPRL1OPRM1OPRK1TLR4
SCHEMBL20808415 0.83 OPRM1 (0.35) OPRL1OPRM1OPRK1TLR4
SCHEMBL20797235 0.83 OPRM1 (0.35) OPRL1OPRM1OPRK1TLR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-20060163536-A1 Chroman dervative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1640433-A1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND Dainippon Ink and Chemicals, Incorporated (JP) 2006-03-29 EP disclosed