SCHEMBL1021773

SCHEMBL1021773

CCc1ccc(OC(=O)NCC2(C)CC(NC(=O)Oc3ccc(CC)cc3CC)CC(C)(C)C2)c(CC)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
AKT1 P31749 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
RCE1 Q9Y256 1/20 0.32
FAAH O00519 1/20 0.31
GAA P10253 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
SCHEMBL2948074 0.94 TSHR (0.50) TSHRTDP1KMT2AMEN1POLB
SCHEMBL1021356 0.89 TSHR (0.52) TSHRTDP1KMT2AMEN1POLB
SCHEMBL1021119 0.88 TSHR (0.50) TSHRTDP1KMT2AMEN1NPC1
SCHEMBL1021096 0.87 TSHR (0.49) TSHRTDP1KMT2AMEN1MAPT
SCHEMBL1021522 0.86 TSHR (0.58) TSHRTDP1KMT2AMEN1POLB
SCHEMBL989495 0.86 TSHR (0.58) TSHRTDP1POLBRAB9AEPHX1
SCHEMBL1021566 0.86 TSHR (0.48) TSHRTDP1EPHX1FAAH
SCHEMBL1024786 0.86 TSHR (0.48) TSHRTDP1EPHX1FAAH
SCHEMBL1309265 0.86 TSHR (0.48) TSHRTDP1EPHX1FAAH
SCHEMBL2948077 0.84 TSHR (0.38) TSHRKMT2AMEN1POLBMAPT

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