SCHEMBL7181758

SCHEMBL7181758

CC/[C]=C(/CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.38
CES2 O00748 2/20 0.38
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.33
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL782772 1.00 CES1 (0.38) CES1CES2ALDH1A1TP53CA1
SCHEMBL7180738 0.92 CES2 (0.40) CES1CES2ALDH1A1TSHR
SCHEMBL7180734 0.92 CES2 (0.40) CES1CES2ALDH1A1TSHR
SCHEMBL7186993 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL7181120 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL4536510 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL7181064 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL7190998 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL7186998 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR
SCHEMBL7181113 0.90 CES2 (0.42) CES1CES2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938842-B1 Sustained release pheromone dispenser SHINETSU CHEMICAL CO (JP) 2003-10-15 EP disclosed
US-20010053372-A1 SUSTAINED RELEASE PHEROMONE FORMATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-20 US disclosed
EP-0938842-A1 Sustained release pheromone dispenser SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-01 EP disclosed