SCHEMBL1023557

SCHEMBL1023557

CCCc1cc(CCC)c(OC(=O)NCC2(C)CC(NC(=O)Oc3c(CCC)cc(CCC)cc3CCC)CC(C)(C)C2)c(CCC)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2928103 0.94 TSHR (0.50) TSHRTDP1
SCHEMBL1023779 0.89 TSHR (0.56) TSHRTDP1
SCHEMBL1021522 0.89 TSHR (0.58) TSHRTDP1
SCHEMBL1021356 0.87 TSHR (0.52) TSHRTDP1
SCHEMBL2928105 0.84 TSHR (0.38) TSHR
SCHEMBL1022247 0.83 TSHR (0.59) TSHRTDP1
SCHEMBL2932515 0.83 TSHR (0.51) TSHRTDP1
SCHEMBL2926648 0.82 TSHR (0.53) TSHRTDP1
SCHEMBL1021679 0.82 TSHR (0.60) TSHRTDP1
SCHEMBL2929435 0.82 TSHR (0.47) TSHRTDP1

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
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed