SCHEMBL6900262

SCHEMBL6900262

C=C(C)C(=O)OCCOc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TSHR P16473 3/20 0.40
AHR P35869 1/20 0.40
PLAU P00749 1/20 0.40
S1PR4 O95977 1/20 0.39
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ORAI1 Q96D31 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3784500 0.92 TSHR (0.46) THRBTDP1KDM4EMAPTHTT
SCHEMBL11172667 0.88 THRB (0.42) THRBTDP1KDM4EMAPTHTT
SCHEMBL11170985 0.88 THRB (0.42) THRBTDP1KDM4EMAPTHTT
SCHEMBL11181664 0.85 THRB (0.41) THRBTDP1KDM4EMAPTHTT
SCHEMBL8957604 0.85 THRB (0.41) THRBTDP1KDM4EMAPTHTT
SCHEMBL9880805 0.80 MAPT (0.41) THRBTDP1KDM4EMAPTHTT
SCHEMBL11143904 0.80 THRB (0.50) THRBTDP1HTTPOLBAPEX1
SCHEMBL11658731 0.80 TSHR (0.46) KDM4EMAPTPOLBTSHRABCB1
SCHEMBL11185791 0.79 POLB (0.42) THRBTDP1KDM4EMAPTHTT
SCHEMBL11175016 0.79 TDP1 (0.42) THRBTDP1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1225603-A None JP disclosed
JP-2004315458-A METHOD FOR REFINING EPISULFIDE COMPOSITION MITSUI CHEMICALS INC 2004-11-11 JP disclosed
JP-H01225603-A RESIN MATERIAL HAVING HIGH REFRACTIVE INDEX KUREHA CHEM IND CO LTD 1989-09-08 JP disclosed
US-4812032-A DIBROMOSTYRENE, DIVINYLBENZENE, HALOGEN CONTAINING ACRYLATE OR METHACRYLATE TORAY INDUSTRIES, INC. (JP) 1989-03-14 US disclosed
US-4721377-A COPOLYMER OF DIBROMOSTYRENE, DI-(OR TRI-) (METH-)ACRYLATE AND MONO (METH-)ACRYLATE TORAY INDUSTRIES, INC. (JP) 1988-01-26 US disclosed
EP-0176874-A2 A highly-refractive plastic lens TORAY INDUSTRIES, INC. (JP) 1986-04-09 EP disclosed