SCHEMBL8027355

SCHEMBL8027355

CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CCR2 P41597 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
IDO1 P14902 1/20 0.34
DGAT1 O75907 2/20 0.33
MCHR1 Q99705 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
PARP10 Q53GL7 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL12566105 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8025496 0.91 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8052168 0.91 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8569487 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8569491 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8047520 0.89 CYP2C9 (0.42) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8215840 0.89 CYP2C9 (0.48) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8528538 0.89 CYP2C9 (0.48) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7723020 0.88 CYP2C9 (0.53) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8052326 0.88 CYP2C9 (0.47) CYP2C9ALDH1A1MAPTLMNASMN1; SMN2

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
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 EP 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