SCHEMBL1023779

SCHEMBL1023779

CCCc1cccc(CCC)c1OC(=O)NCC1(C)CC(NC(=O)Oc2c(CCC)cccc2CCC)CC(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL2932515 0.94 TSHR (0.51) TSHRTDP1USP2RAB9AGAA
SCHEMBL1022247 0.93 TSHR (0.59) TSHRTDP1USP2RAB9AGAA
SCHEMBL990592 0.89 TSHR (0.55) TSHRTDP1USP2RAB9AGAA
SCHEMBL1023557 0.89 TSHR (0.55) TSHRTDP1
SCHEMBL1954415 0.88 TSHR (0.52) TSHRTDP1USP2RAB9AGAA
SCHEMBL29914180 0.88 TSHR (0.52) TSHRTDP1USP2RAB9AGAA
SCHEMBL2928800 0.86 TSHR (0.54) TSHRTDP1USP2RAB9AGAA
SCHEMBL1022340 0.85 TSHR (0.60) TSHRTDP1GAAL3MBTL1
SCHEMBL2932516 0.84 TSHR (0.38) TSHR
SCHEMBL989495 0.83 TSHR (0.58) TSHRTDP1USP2RAB9AEPHX1

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