SCHEMBL8528538

SCHEMBL8528538

CCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
PRSS1 P07477 2/20 0.37
ACR P10323 2/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 4/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8215840 1.00 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8025949 0.97 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8052326 0.97 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL12032078 0.94 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8052168 0.93 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8025496 0.93 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8572821 0.91 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8572819 0.91 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8052270 0.90 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8471095 0.90 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
CN-1140160-A Liquid crystalline compound having conjugated carbon chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed