SCHEMBL9636397

SCHEMBL9636397

CCCCCCCCc1cnc(-c2ccc(-c3ccc(CCCCCC)cc3)cc2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
RAB9A P51151 4/20 0.77
ALDH1A1 P00352 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
HSD17B10 Q99714 3/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
KDM4E B2RXH2 2/20 0.77
USP2 O75604 1/20 0.77
GAA P10253 1/20 0.77
HPGD P15428 1/20 0.77
RARB P10826 6/20 0.70
RARA P10276 1/20 0.57
MTOR P42345 1/20 0.57
NPC1 O15118 2/20 0.55
STAT3 P40763 1/20 0.55
ATM Q13315 1/20 0.55
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL9636301 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9636394 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9636179 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6665924 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9227943 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9221975 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9637558 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8596123 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9229470 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL25953961 1.00 MAPT (0.77) MAPTRAB9AALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293763-B1 SMECTIC LIQUID CRYSTAL MIXTURE CHISSO CORPORATION (JP) 1992-07-29 EP disclosed
EP-0251335-B1 HALOGENEN-SUBSTITUTED PHENYL BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM AND OPTICAL SWITCHING ELEMENT Chisso Corporation (JP) 1991-04-24 EP disclosed
EP-0257457-B1 OPTICALLY ACTIVE 2-METHYL 1,3-PROPANEDIOL DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS COMPRISING THEM AND OPTICAL SWITCHING ELEMENT Chisso Corporation (JP) 1990-10-31 EP disclosed
EP-0256307-B1 OPTICALLY ACTIVE COMPOUNDS HAVING BIPHENYL SKELETON, LIQUID CRYSTAL COMPOSITION AND SWITCHING ELEMENT CONTAINING THEM Chisso Corporation (JP) 1990-10-03 EP disclosed
US-4882083-A CONTAINING OPTICALLY ACTIVE COMPOUND; HIGH SPEED RESPONSE DISPLAY ELEMENT CHISSO CORPORATION (JP) 1989-11-21 US disclosed
US-4784791-A LIQUID CRYSTAL COMPOUNDS FOR OPTICAL SWITCHES CHISSO CORPORATION (JP) 1988-11-15 US disclosed
EP-0251335-A2 Halogenen-substituted phenyl benzyl ether derivatives, liquid crystal compositions containing them and optical switching element Chisso Corporation (JP) 1988-01-07 EP disclosed