SCHEMBL8857682

SCHEMBL8857682

CCCCCC1CCC(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
SPHK1 Q9NYA1 3/20 0.37
OPRL1 P41146 7/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
S1PR3 Q99500 1/20 0.35
ESR2 Q92731 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL8857676 1.00 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8456839 0.99 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8456834 0.99 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857856 0.99 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857852 0.99 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7510501 0.99 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857788 0.96 CYP2C9 (0.36) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857782 0.96 CYP2C9 (0.36) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857776 0.96 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857785 0.96 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637257-A LIQUID CRYSTAL DISPLAYING MERCK PATENT GESELLSCHAFT MLT BESCHRANKTER HAFTUNG (DE) 1997-06-10 US disclosed
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5482653-A FOR LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-09 US disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed
WO-1990015113-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed