SCHEMBL12099412

SCHEMBL12099412

CCCCCC(CC)OC(=O)NCCCCCCNC(=O)OC(CC)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.58
MGLL Q99685 1/20 0.47
ACHE P22303 6/20 0.46
CTSK P43235 1/20 0.45
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 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
SCHEMBL12099415 0.94 EPHX1 (0.51) EPHX1MGLLACHECTSKGNAI3
SCHEMBL29218569 0.88 CTSK (0.46) EPHX1CTSK
SCHEMBL16449814 0.87 EPHX1 (0.58) EPHX1MGLLACHE
SCHEMBL6154864 0.86 EPHX1 (0.52) EPHX1MGLLACHECTSK
SCHEMBL12451128 0.86 EPHX1 (0.53) EPHX1ACHE
SCHEMBL12451120 0.86 EPHX1 (0.53) EPHX1ACHE
SCHEMBL12451123 0.86 EPHX1 (0.53) EPHX1ACHE
SCHEMBL13115054 0.86 EPHX1 (0.53) EPHX1MGLLACHECTSK
SCHEMBL16023972 0.85 EPHX1 (0.51) EPHX1ACHE
SCHEMBL12530535 0.85 EPHX1 (0.51) EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889322-B2 Photopolymer formulation having different writing comonomers BAYER MATERIALSCIENCE AG (DE) 2014-11-18 US disclosed
US-20120231377-A1 PHOTOPOLYMER FORMULATION HAVING DIFFERENT WRITING COMONOMERS COVESTRO DEUTSCHLAND AG (DE) 2012-09-13 US disclosed