SCHEMBL4438282

SCHEMBL4438282

Nc1ccc(C#Cc2ccccc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HNF4A P41235 1/20 0.53
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 3/20 0.48
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
ALOX15 P16050 2/20 0.45

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
SCHEMBL11193377 0.84 HNF4A (0.58) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL4267311 0.81 HNF4A (0.63) MAPTHNF4AAPPCA12CA1
SCHEMBL29640427 0.81 HNF4A (0.63) MAPTHNF4AAPPCA12CA1
SCHEMBL28739815 0.78 HNF4A (0.55) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL5231283 0.77 MAPT (0.55) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL16598981 0.76 MAPT (0.54) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL12478974 0.76 MAPT (0.54) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL3708035 0.76 MAPT (0.54) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL18130077 0.74 APP (0.57) MAPTHNF4ACYP3A4HSD17B10KDM4E
SCHEMBL2746914 0.73 MAPT (0.42) MAPTCYP3A4HSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608928-B2 Laminated body and semiconductor device JSR CORPORATION (JP) 2009-10-27 US disclosed
US-20080044664-A1 Laminated Body and Semiconductor Drive JSR CORPORATION (JP) 2008-02-21 US disclosed
EP-1760774-A1 LAMINATED BODY AND SEMICONDUCTOR DEVICE JSR Corporation (JP) 2007-03-07 EP disclosed