SCHEMBL5597386

SCHEMBL5597386

Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1.Cc1ccc(OP(=O)(O)Oc2ccc(C)cc2)cc1.c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CYP3A4 P08684 1/20 0.55
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SRC P12931 1/20 0.45
PTK2B Q14289 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44

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
Toluene SCHEMBL28459052 0.90 TSHR (0.57) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL218003 0.90 CYP3A4 (0.57) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL157866 0.90 TSHR (0.67) TSHRCYP3A4MEN1KMT2ALMNA
Naphthalene SCHEMBL15952534 0.89 CYP3A4 (0.55) TSHRCYP3A4MEN1KMT2ALMNA
P-Xylene SCHEMBL8467418 0.88 SRC (0.59) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL1983846 0.88 TSHR (0.64) TSHRCYP3A4MEN1KMT2ALMNA
Fluoride SCHEMBL31047203 0.88 TSHR (0.64) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL8884790 0.88 TSHR (0.64) TSHRCYP3A4MEN1KMT2ALMNA
Biphenyl SCHEMBL17782089 0.87 CYP3A4 (0.53) TSHRCYP3A4MEN1KMT2ALMNA
Toluene SCHEMBL26607511 0.84 SRC (0.59) TSHRCYP3A4MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245597-B1 GRAFT COPOLYMER AND THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME MITSUBISHI RAYON CO (JP) 2007-03-21 EP disclosed
US-6777492-B1 GAS EVOLUTION DURING THE MOLDING IS REMARKABLY PREVENTED MITSUBISHI RAYON CO., LTD. (JP) 2004-08-17 US disclosed
EP-1245597-A1 GRAFT COPOLYMER AND THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME Mitsubishi Rayon Co., Ltd. (JP) 2002-10-02 EP disclosed