SCHEMBL9636080

SCHEMBL9636080

CCCCCCCCCCOc1cnc(-c2ccc(CCCC)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
ALDH1A1 P00352 5/20 0.64
KDM4E B2RXH2 4/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 2/20 0.64
USP2 O75604 2/20 0.64
GAA P10253 1/20 0.64
NPC1 O15118 3/20 0.55
RARB P10826 8/20 0.52
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL9637690 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636309 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636224 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636293 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636336 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9639105 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636298 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636162 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9636353 1.00 RAB9A (0.64) RAB9AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL10469637 0.97 RAB9A (0.68) RAB9AALDH1A1KDM4EMAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293764-B1 SMECTIC LIQUID CRYSTAL COMPOUND Chisso Corporation (JP) 1992-07-29 EP disclosed
EP-0293763-B1 SMECTIC LIQUID CRYSTAL MIXTURE CHISSO CORPORATION (JP) 1992-07-29 EP disclosed
US-4906400-A Smetic liquid crystal compound CHISSO CORPORATION (JP) 1990-03-06 US disclosed
US-4882083-A CONTAINING OPTICALLY ACTIVE COMPOUND; HIGH SPEED RESPONSE DISPLAY ELEMENT CHISSO CORPORATION (JP) 1989-11-21 US disclosed
EP-0293764-A2 Smectic liquid crystal compound Chisso Corporation (JP) 1988-12-07 EP disclosed
EP-0293763-A2 Smectic liquid crystal mixture CHISSO CORPORATION (JP) 1988-12-07 EP disclosed