SCHEMBL9524930

SCHEMBL9524930

CCCCCCc1ccc(-c2cnc(-c3ccc(OCC4COC(C)(C)O4)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
RARB P10826 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.38
SPHK2 Q9NRA0 7/20 0.37
SPHK1 Q9NYA1 7/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL9524925 1.00 RAB9A (0.46) RAB9AHSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL9528028 0.93 RARB (0.46) RAB9AHSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL9528031 0.93 RARB (0.46) RAB9AHSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL10811144 0.89 MEN1 (0.43) HSD17B10SMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL9523936 0.88 MAPK14 (0.37) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL9523941 0.88 MAPK14 (0.37) RAB9AMAPTKDM4EALDH1A1HPGD
SCHEMBL9524673 0.86 NPC1 (0.46) RAB9AHSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL9524670 0.86 NPC1 (0.46) RAB9AHSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL9525003 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1RARB
SCHEMBL9524995 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1RARB

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