SCHEMBL8045323

SCHEMBL8045323

CCC[C@H]1CC[C@H](C2(c3ccccc3F)C=CC(C(=O)O)C=C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
HDAC4 P56524 7/20 0.34
OPRL1 P41146 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BACE1 P56817 3/20 0.32
HSD11B1 P28845 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL7510560 1.00 CYP2C9 (0.34) CYP2C9HDAC4OPRL1MAPTALDH1A1
SCHEMBL11046104 0.86 CYP2C9 (0.33) CYP2C9HDAC4MAPTALDH1A1LMNA
SCHEMBL2036207 0.83 PDK2 (0.32) CYP2C9HDAC4MAPTALDH1A1LMNA
SCHEMBL20594617 0.82 CYP2C9 (0.31) CYP2C9
SCHEMBL20594539 0.82 CYP2C9 (0.31) CYP2C9
SCHEMBL8034380 0.82 HSD11B1 (0.33) CYP2C9HDAC4OPRL1MAPTHSD11B1
SCHEMBL8081838 0.78
SCHEMBL8081862 0.77 POLB (0.33) CYP2C9HDAC4OPRL1MAPTALDH1A1
SCHEMBL8025509 0.77 POLB (0.33) CYP2C9HDAC4OPRL1MAPTALDH1A1
SCHEMBL7507973 0.76 VCP (0.37) CYP2C9HDAC4OPRL1MAPTALDH1A1

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