SCHEMBL8528513

SCHEMBL8528513

CCCCCC1CCC(c2ccc(C(=O)O)cc2)CC1.N#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
P2RY14 Q15391 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CHRM4 P08173 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
NR3C2 P08235 1/20 0.41
RARB P10826 9/20 0.41
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL8083685 0.93 CYP2C9 (0.54) CYP2C9P2RY14ALDH1A1MAPTLMNA
SCHEMBL221697 0.88 CYP2C9 (0.57) CYP2C9P2RY14ALDH1A1MAPTLMNA
SCHEMBL221696 0.88 CYP2C9 (0.57) CYP2C9P2RY14ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL10971561 0.87 CYP2C9 (0.56) CYP2C9P2RY14ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL10971557 0.87 CYP2C9 (0.56) CYP2C9P2RY14ALDH1A1MAPTLMNA
SCHEMBL223333 0.87 TSHR (0.49) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL223334 0.87 TSHR (0.49) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL11527389 0.85 TSHR (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL9632203 0.85 TSHR (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL11527385 0.85 TSHR (0.51) CYP2C9ALDH1A1MAPTLMNAMEN1

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-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP 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