SCHEMBL9523936

SCHEMBL9523936

CCCCCCCCc1ncc(-c2ccc(OC[C@H]3COC(C)(C)O3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 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
SCHEMBL9523941 1.00 MAPK14 (0.37) MAPK14CCNKCDK12L3MBTL1MAPT
SCHEMBL9524930 0.88 RAB9A (0.46) L3MBTL1MAPTRAB9AKDM4EALDH1A1
SCHEMBL9524925 0.88 RAB9A (0.46) L3MBTL1MAPTRAB9AKDM4EALDH1A1
SCHEMBL9524945 0.88 HTR1A (0.40) L3MBTL1MAPTRAB9ACYP2C9CYP2C19
SCHEMBL9524949 0.88 HTR1A (0.40) L3MBTL1MAPTRAB9ACYP2C9CYP2C19
SCHEMBL9524995 0.87 KDM4E (0.38) MAPK14CCNKCDK12L3MBTL1CYP2C9
SCHEMBL9525003 0.87 KDM4E (0.38) MAPK14CCNKCDK12L3MBTL1CYP2C9
SCHEMBL9528028 0.84 RARB (0.46) CCNKCDK12L3MBTL1MAPTRAB9A
SCHEMBL9528031 0.84 RARB (0.46) CCNKCDK12L3MBTL1MAPTRAB9A
SCHEMBL10811144 0.83 MEN1 (0.43) MAPK14ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351746-B1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0351746-A1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed