SCHEMBL1021098

SCHEMBL1021098

CC1(C)CC(NC(=O)Oc2ccccc2C(C)(C)c2ccccc2)CC(C)(CNC(=O)Oc2ccccc2C(C)(C)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
EZH2 Q15910 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
EPHX1 P07099 1/20 0.34
USP2 O75604 1/20 0.34
HCRTR2 O43614 1/20 0.33
POLB P06746 1/20 0.33
KCNA3 P22001 1/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 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
SCHEMBL2930878 0.95 TSHR (0.49) TSHREZH2TDP1USP2POLB
SCHEMBL1022837 0.91 TSHR (0.49) TSHREZH2TDP1EPHX1USP2
SCHEMBL2923735 0.86 TSHR (0.46) TSHREZH2TDP1POLBGAA
SCHEMBL1952647 0.86 TSHR (0.55) TSHREZH2TDP1POLBCHRM2
SCHEMBL2930879 0.85 KCNA3 (0.37) TSHREZH2KCNA3GAACHRM2
SCHEMBL1836071 0.84 TSHR (0.57) TSHRTDP1EPHX1USP2HCRTR2
SCHEMBL29914212 0.83 TSHR (0.59) TSHREZH2TDP1EPHX1USP2
SCHEMBL982145 0.83 TSHR (0.59) TSHREZH2TDP1EPHX1USP2
SCHEMBL1953150 0.83 TSHR (0.51) TSHREZH2HTTKDM4EKMT2A
SCHEMBL989495 0.83 TSHR (0.58) TSHREZH2TDP1EPHX1USP2

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