SCHEMBL8528511

SCHEMBL8528511

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)O)c(-c3ccc(-c4ccc(C#N)cc4)cc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.41
P2RY14 Q15391 4/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 1/20 0.37
FASN P49327 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ADRB3 P13945 2/20 0.35
ADRA2B P18089 2/20 0.35
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
ADRA1B P35368 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
RARB P10826 4/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL8527592 0.93 CYP2C9 (0.44) LTB4R2P2RY14CYP2C9FASNALDH1A1
SCHEMBL8676752 0.93 CYP2C9 (0.44) LTB4R2P2RY14CYP2C9FASNALDH1A1
SCHEMBL8045328 0.92 LTB4R2 (0.44) LTB4R2CYP2C9FASNSCD5
SCHEMBL8043476 0.85 LTB4R2 (0.42) LTB4R2P2RY14CYP2C9FASNALDH1A1
SCHEMBL8677220 0.85 RARB (0.39) RARBRARARARG
SCHEMBL7514456 0.85 RARB (0.39) RARBRARARARG
SCHEMBL28570299 0.82 ACMSD (0.39) CYP2C9ALDH1A1LMNAMAPTRARB
SCHEMBL223334 0.82 TSHR (0.49) TSHRHSD17B10CYP2C9ALDH1A1LMNA
SCHEMBL223333 0.82 TSHR (0.49) TSHRHSD17B10CYP2C9ALDH1A1LMNA
SCHEMBL8528513 0.82 CYP2C9 (0.46) P2RY14CYP2C9ALDH1A1LMNAMAPT

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