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SCHEMBL1024786

SCHEMBL1024786

CCCCCCCc1ccc(OC(=O)NCC2(C)CC(NC(=O)Oc3ccc(CCCCCCC)cc3CCCCCCC)CC(C)(C)C2)c(CCCCCCC)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ CNR2 P34972 4/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL1021566 1.00 TSHR (0.48) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1309265 1.00 TSHR (0.48) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1021096 0.99 TSHR (0.49) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1021119 0.96 TSHR (0.50) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL2927090 0.95 TSHR (0.44) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL2933085 0.95 TSHR (0.44) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL2929542 0.95 TSHR (0.44) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL2928078 0.94 TSHR (0.45) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL2929507 0.91 TSHR (0.46) TSHRPPARAPPARGTDP1TRPV1
SCHEMBL1021356 0.91 TSHR (0.52) TSHRTDP1EPHX1FAAH

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