SCHEMBL7066508

SCHEMBL7066508

CCCCCC1CCC(C(=O)O)(c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 8/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2C19 P33261 5/20 0.39
CYP2C9 P11712 5/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
AKR1C1 Q04828 3/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
MCHR1 Q99705 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35

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
SCHEMBL5886251 0.92 APP (0.40) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL9195419 0.91 CTSC (0.40) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7066941 0.90 ALDH1A1 (0.40) MEN1KMT2AFFAR4ALDH1A1HPGD
SCHEMBL7508869 0.87 AKR1C3 (0.43) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7065829 0.86 MEN1 (0.35) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL7507920 0.83 AKR1C3 (0.44) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL10874182 0.82 KMT2A (0.48) MEN1KMT2AAKR1C1FFAR4
SCHEMBL9763553 0.82 MEN1 (0.39) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL10723391 0.82 MEN1 (0.41) APPCYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL9764010 0.81 MEN1 (0.38) APPCYP3A4CYP2C19CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP claimed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP claimed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP claimed
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP disclosed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP disclosed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP disclosed