SCHEMBL8045331

SCHEMBL8045331

CCC[C@H]1CC[C@H](c2ccc(C(=O)O)c(-c3ccc(F)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
LTB4R2 Q9NPC1 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 5/20 0.39
CYP3A4 P08684 1/20 0.38
S1PR1 P21453 1/20 0.37
ADRB3 P13945 2/20 0.37
ADRA2B P18089 2/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
ADRA1B P35368 2/20 0.37
P2RY14 Q15391 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ACMSD Q8TDX5 2/20 0.36

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
SCHEMBL7510571 1.00 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTLTB4R2
SCHEMBL11046109 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTLTB4R2
SCHEMBL8025511 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8025498 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10946278 0.86 MCL1 (0.46) CYP2C9ALDH1A1LMNAMAPTLTB4R2
SCHEMBL10946281 0.86 MCL1 (0.46) CYP2C9ALDH1A1LMNAMAPTLTB4R2
SCHEMBL7231470 0.86 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7231472 0.86 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7238426 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7238430 0.85 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1

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-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed