SCHEMBL9345490

SCHEMBL9345490

CCCOc1ccc(C2CCC([C@H]3CC[C@H](CCC)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
KCNH2 Q12809 3/20 0.40
CYP3A4 P08684 3/20 0.40
ESR2 Q92731 1/20 0.40
DRD2 P14416 1/20 0.38

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
SCHEMBL10763938 1.00 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10763933 1.00 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8368591 0.95 CYP2C9 (0.54) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL8368592 0.95 CYP2C9 (0.54) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10764754 0.94 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10764762 0.94 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10770047 0.92 RAB9A (0.48) CYP2C9ALDH1A1MAPTLMNARAB9A
SCHEMBL10770049 0.92 RAB9A (0.48) CYP2C9ALDH1A1MAPTLMNARAB9A
SCHEMBL10765763 0.92 RAB9A (0.48) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10765768 0.92 RAB9A (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393636-B1 Liquid crystal composition and liquid crystal display using said composition CHISSO CORP (JP) 1994-07-20 EP disclosed
US-5102577-A Supertwisted birefringence system CHISSO CORPORATION (JP) 1992-04-07 US disclosed
EP-0393636-A2 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1990-10-24 EP disclosed