SCHEMBL16130730

SCHEMBL16130730

CCCC1CCC(CC(F)COc2ccc(OCC(F)CC3CCC(C)CC3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL10021286 0.92 KDM1A (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10021283 0.89 KDM1A (0.33) CYP2C9
SCHEMBL14960960 0.89 CYP2C9 (0.31) CYP2C9MAPT
SCHEMBL16130653 0.87 ALDH1A1 (0.34) TSHRALDH1A1
SCHEMBL10021453 0.84 GRIN1 (0.32)
SCHEMBL16130695 0.84 KDM1A (0.32) ALDH1A1
SCHEMBL16130601 0.83 KDM1A (0.30)
SCHEMBL10021027 0.82 NPC1 (0.36) MAPT
SCHEMBL14961028 0.81 TRPV1 (0.34) MAPTMAPK1
SCHEMBL14960998 0.81 KDM1A (0.32)

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-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed