SCHEMBL1021356

SCHEMBL1021356

CCCc1ccc(OC(=O)NCC2(C)CC(NC(=O)Oc3ccc(CCC)cc3CCC)CC(C)(C)C2)c(CCC)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FAAH O00519 1/20 0.32
NAAA Q02083 1/20 0.32
EPHX1 P07099 1/20 0.32
DRD2 P14416 1/20 0.32
NCEH1 Q6PIU2 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
ALOX5 P09917 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
AKT1 P31749 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
SCHEMBL2929435 0.94 TSHR (0.47) TSHRTDP1MEN1KMT2AFAAH
SCHEMBL1021119 0.93 TSHR (0.50) TSHRTDP1MEN1KMT2ANPC1
SCHEMBL1021096 0.92 TSHR (0.49) TSHRTDP1MEN1KMT2ANPC1
SCHEMBL1309265 0.91 TSHR (0.48) TSHRTDP1FAAHEPHX1
SCHEMBL1024786 0.91 TSHR (0.48) TSHRTDP1FAAHEPHX1
SCHEMBL1021566 0.91 TSHR (0.48) TSHRTDP1FAAHEPHX1
SCHEMBL1021773 0.89 TSHR (0.55) TSHRTDP1MEN1KMT2ANPC1
SCHEMBL1023557 0.87 TSHR (0.55) TSHRTDP1
SCHEMBL990592 0.87 TSHR (0.55) TSHRTDP1RAB9AEPHX1POLB
SCHEMBL2929507 0.87 TSHR (0.46) TSHRTDP1MEN1KMT2ANPC1

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