SCHEMBL7718359

SCHEMBL7718359

CCCCCNC1(C(=O)O)CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
EPHX1 P07099 13/20 0.39
CNR2 P34972 3/20 0.38
EPHX2 P34913 2/20 0.38
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL7713427 0.98 NAAA (0.42) NAAAEPHX1EPHX2SPHK1
SCHEMBL6179296 0.98 EPHX1 (0.39) NAAAEPHX1CNR2SPHK1
SCHEMBL28524188 0.95 CNR2 (0.39) NAAAEPHX1CNR2
SCHEMBL6680069 0.91 EPHX1 (0.42) EPHX1SPHK1
SCHEMBL9782359 0.89 EPHX1 (0.45) NAAAEPHX1SPHK1
SCHEMBL3377284 0.82 SPHK1 (0.43) NAAAEPHX1SPHK1
SCHEMBL10207201 0.81 POLB (0.36) EPHX1CNR2
SCHEMBL6171846 0.80 EPHX2 (0.42) EPHX2SPHK1
SCHEMBL11513297 0.80 GRIN2D (0.41)
SCHEMBL4616715 0.79 CYP2C19 (0.39) CNR2

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-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US claimed
US-6383275-B1 MIXTURE OF WATER, COLORANT AD WATER SOLUBLE DISCOLORATION INHIBITOR XEROX CORPORATION 2002-05-07 US disclosed