SCHEMBL1022247

SCHEMBL1022247

CCc1cccc(CC)c1OC(=O)NCC1(C)CC(NC(=O)Oc2c(CC)cccc2CC)CC(C)(C)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.35
EPHX1 P07099 2/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2928800 0.94 TSHR (0.54) TSHRTDP1USP2RAB9AKMT2A
SCHEMBL1023779 0.93 TSHR (0.56) TSHRTDP1USP2EPHX1RAB9A
SCHEMBL1021522 0.88 TSHR (0.58) TSHRTDP1KMT2AMEN1POLB
SCHEMBL989495 0.88 TSHR (0.58) TSHRTDP1USP2EPHX1RAB9A
SCHEMBL1022340 0.88 TSHR (0.60) TSHRTDP1L3MBTL1GAANPSR1
SCHEMBL1954170 0.87 TSHR (0.55) TSHRTDP1USP2EPHX1RAB9A
SCHEMBL29914175 0.87 TSHR (0.55) TSHRTDP1USP2EPHX1RAB9A
SCHEMBL2932515 0.86 TSHR (0.51) TSHRTDP1USP2RAB9AKMT2A
SCHEMBL1838093 0.85 TSHR (0.57) TSHRTDP1
SCHEMBL990592 0.83 TSHR (0.55) TSHRTDP1USP2EPHX1RAB9A

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