SCHEMBL5709875

SCHEMBL5709875

CCCCCCCCCCCCCCCCCCOC(=O)CCCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
DGKA P23743 1/20 0.54
NAAA Q02083 6/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
EPHX1 P07099 1/20 0.49
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
DNM1 Q05193 1/20 0.46

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
SCHEMBL29089245 0.98 DGKA (0.56) EPHX2DGKANAAASMN1; SMN2CYP1A2
SCHEMBL1516540 0.95 DGKA (0.57) EPHX2DGKANAAASMN1; SMN2CYP1A2
SCHEMBL8084714 0.92 EPHX2 (0.54) EPHX2DGKANAAASMN1; SMN2CYP1A2
SCHEMBL11827441 0.92 DGKA (0.59) EPHX2DGKANAAAHTR2CPRSS1
SCHEMBL30288134 0.92 SMN1; SMN2 (0.51) EPHX2DGKANAAASMN1; SMN2CYP1A2
SCHEMBL11837154 0.92 DGKA (0.59) EPHX2DGKANAAAHTR2CPRSS1
SCHEMBL11830137 0.92 DGKA (0.59) EPHX2DGKANAAAHTR2CPRSS1
SCHEMBL11821128 0.92 DGKA (0.59) EPHX2DGKANAAAHTR2CPRSS1
SCHEMBL29089247 0.91 NAAA (0.53) EPHX2DGKANAAASMN1; SMN2HTR2C
SCHEMBL28879552 0.90 DGKA (0.51) EPHX2DGKANAAASMN1; SMN2EPHX1

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
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed