SCHEMBL3462948

SCHEMBL3462948

CC(=O)/C=C/c1ccc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL2491340 1.00 MAPT (0.61) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL10384632 0.83 MAPT (0.65) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL1079166 0.82 MAPT (0.68) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL29951439 0.82 MAPT (0.68) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL1079165 0.82 MAPT (0.68) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL30478655 0.80 MAPT (0.61) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL6383873 0.79 MAPT (0.56) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL2490266 0.79 RAB9A (0.56) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL6383870 0.79 MAPT (0.56) MAPTRAB9ANPC1HTTSMN1; SMN2
SCHEMBL20517908 0.78 MAPT (0.64) MAPTRAB9ANPC1HTTSMN1; 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
WO-2022158624-A1 NOVEL BENZOPYRAN DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND ANTICANCER COMPOSITION COMPRISING SAME 연세대학교 산학협력단 2022-07-28 WO disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
EP-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US disclosed
EP-0316790-A1 Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-24 EP disclosed