SCHEMBL1021522

SCHEMBL1021522

CCc1cc(CC)c(OC(=O)NCC2(C)CC(NC(=O)Oc3c(CC)cc(CC)cc3CC)CC(C)(C)C2)c(CC)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2926648 0.94 TSHR (0.53) TSHRTDP1MEN1KMT2APOLB
SCHEMBL1023557 0.89 TSHR (0.55) TSHRTDP1
SCHEMBL1022247 0.88 TSHR (0.59) TSHRTDP1MEN1KMT2APOLB
SCHEMBL1021773 0.86 TSHR (0.55) TSHRTDP1MEN1KMT2APOLB
SCHEMBL2926650 0.83 TSHR (0.40) TSHR
SCHEMBL1023779 0.83 TSHR (0.56) TSHRTDP1GAA
SCHEMBL2928103 0.83 TSHR (0.50) TSHRTDP1GAA
SCHEMBL1021679 0.82 TSHR (0.60) TSHRTDP1MEN1KMT2APOLB
SCHEMBL2928800 0.82 TSHR (0.54) TSHRTDP1MEN1KMT2APOLB
SCHEMBL2948074 0.81 TSHR (0.50) TSHRTDP1MEN1KMT2APOLB

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