SCHEMBL1022837

SCHEMBL1022837

CC1(C)CC(NC(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2C(C)(C)c2ccccc2)CC(C)(CNC(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2C(C)(C)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.33
EZH2 Q15910 5/20 0.33
POLB P06746 2/20 0.31
KDM4E B2RXH2 5/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 2/20 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
SCHEMBL2923735 0.95 TSHR (0.46) TSHRTDP1EZH2POLBKDM4E
SCHEMBL1021098 0.91 TSHR (0.53) TSHRTDP1EZH2POLBKDM4E
SCHEMBL1026429 0.87 TSHR (0.53) TSHRTDP1EZH2POLBMEN1
SCHEMBL1952647 0.87 TSHR (0.55) TSHRTDP1EZH2POLBKDM4E
SCHEMBL2930878 0.86 TSHR (0.49) TSHRTDP1EZH2POLBKDM4E
SCHEMBL2923737 0.86 TSHR (0.34) TSHR
SCHEMBL16942541 0.85 TSHR (0.49) TSHREZH2ALDH1A1
SCHEMBL1023766 0.84 TSHR (0.50) TSHRTDP1MEN1KMT2AALDH1A1
SCHEMBL1953150 0.83 TSHR (0.51) TSHREZH2KDM4EMEN1KMT2A
SCHEMBL1022938 0.83 TSHR (0.48) TSHRTDP1EZH2HTT

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