SCHEMBL7106951

SCHEMBL7106951

CCOC(=O)CCCCCCCC1CC1CC1CC1CCC1CC1CC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
EPHX2 P34913 10/20 0.42
PRKCA P17252 2/20 0.41
PRKCE Q02156 2/20 0.41
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
DGKA P23743 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL4803790 1.00 ALDH1A1 (0.49) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL14940598 0.91 ALOX5 (0.55) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL15926259 0.89 CYP1A2 (0.48) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL22927612 0.86 ALOX5 (0.45) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL14952240 0.86 ALOX5 (0.45) ALDH1A1TDP1ALOX5TSHREPHX2
SCHEMBL14944798 0.86 DGKA (0.53) ALOX5TSHREPHX2PRKCAPRKCE
SCHEMBL10084982 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045151 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045194 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045153 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5

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-1343746-A1 CARBOXYLIC ACID COMPOUND HAVING CYCLOPROPANE RING FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-17 EP disclosed
WO-2002050013-A1 CARBOXYLIC ACID COMPOUND HAVING CYCLOPROPANE RING FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-27 WO disclosed