SCHEMBL3674016

SCHEMBL3674016

NC(N)C/C1=C/CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CXCR3 P49682 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.34
EPHX1 P07099 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KDM1A O60341 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3674017 1.00 ALDH1A1 (0.40) ALDH1A1CXCR3SMN1; SMN2ALOX15NPSR1
SCHEMBL3674305 0.98 ALDH1A1 (0.41) ALDH1A1CXCR3SMN1; SMN2ALOX15NPSR1
SCHEMBL3676413 0.91
SCHEMBL23004914 0.81 SMN1; SMN2 (0.41) ALDH1A1CXCR3SMN1; SMN2ALOX15PKM
SCHEMBL23004916 0.81 SMN1; SMN2 (0.41) ALDH1A1CXCR3SMN1; SMN2ALOX15PKM
SCHEMBL23004945 0.81 SMN1; SMN2 (0.41) ALDH1A1CXCR3SMN1; SMN2ALOX15PKM
SCHEMBL7991194 0.78 SMN1; SMN2 (0.45) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL5298700 0.77 GRIA1 (0.47) ALDH1A1SMN1; SMN2ALOX15NPSR1USP2
SCHEMBL15547037 0.76 SMN1; SMN2 (0.39) ALDH1A1CXCR3SMN1; SMN2ALOX15NPSR1
SCHEMBL314073 0.76 SMN1; SMN2 (0.46) ALDH1A1CXCR3SMN1; SMN2ALOX15NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed