SCHEMBL5280306

SCHEMBL5280306

CCCCCCCCCCCC(=O)OCc1ccccc1.CCCCCCCCCCCCCCCCOC(=O)CCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP3A4 P08684 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
DGKA P23743 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 1/20 0.53
CETP P11597 3/20 0.51
TP53 P04637 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
EPHX2 P34913 2/20 0.49

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
SCHEMBL11124646 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7094905 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL8781113 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL772826 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL22819559 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL11123903 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7096716 1.00 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL15577118 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL15203715 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL16344688 0.95 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253907-B1 PERSONAL WASHING BAR HAVING ADJACENT EMOLLIENT RICH AND EMOLLIENT POOR PHASES UNILEVER PLC (GB) 2007-11-14 EP disclosed