SCHEMBL489872

SCHEMBL489872

CC/[C]=C/CCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
THRB P10828 1/20 0.42
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
DNM1 Q05193 3/20 0.39
EP300 Q09472 1/20 0.37
DUSP3 P51452 1/20 0.36
PTPN7 P35236 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3652249 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL949869 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7182170 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7188921 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7189741 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7175478 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL951294 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL7175480 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL951295 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL949871 1.00 TSHR (0.46) TSHRTHRBFAAHTRPV1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-0938842-B1 Sustained release pheromone dispenser SHINETSU CHEMICAL CO (JP) 2003-10-15 EP disclosed
US-6355236-B2 Sustained release pheromone formation SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-03-12 US 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