SCHEMBL8046578

SCHEMBL8046578

CCCCC1CCC(C(=O)O)(c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.43
APP P05067 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD11B1 P28845 4/20 0.40
OPRM1 P35372 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR7 P34969 1/20 0.38
MLYCD O95822 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
SCHEMBL7511127 0.96 MEN1 (0.48) MEN1KMT2ATSHRAPPCYP3A4
SCHEMBL7507869 0.95 MEN1 (0.47) MEN1KMT2ATSHRAPPCYP3A4
SCHEMBL8563389 0.92 MEN1 (0.45) MEN1KMT2ATSHRAPPCYP3A4
SCHEMBL7511859 0.89 MEN1 (0.44) MEN1KMT2ATSHRAPPCYP3A4
SCHEMBL7513598 0.86 KMT2A (0.49) MEN1KMT2ATSHRCYP2C19MAPT
SCHEMBL9842704 0.86 APP (0.64) APPCYP3A4CYP2C9CYP2C19
SCHEMBL8559070 0.86 APP (0.45) MEN1KMT2ATSHRAPPCYP3A4
SCHEMBL7507920 0.86 AKR1C3 (0.44) MEN1KMT2AAPPCYP3A4CYP2C9
SCHEMBL8677395 0.85 MEN1 (0.48) MEN1KMT2ATSHRTP53OPRL1
SCHEMBL8035928 0.85 KMT2A (0.48) MEN1KMT2ATSHROPRM1OPRL1

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-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
US-5714088-A TRIFLUOROMETHYL- OR -METHOXYPHENYL-SUBSTITUTED BRANCHED ALKYL-SUBSTITUTED CYCLOHEXANES; LARGE POSITIVE VALUE OF DIELECTRIC ANISOTROPY; VERY LOW VISCOSITY; HIGH VOLTAGE HOLDING RATIO(SPECIFIC RESISTANCE); UV STABILITY CHISSO CORPORATION (JP) 1998-02-03 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