SCHEMBL2000442

SCHEMBL2000442

O=C(I)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.68
CES1 P23141 3/20 0.68
TSHR P16473 2/20 0.65
ALOX15 P16050 1/20 0.65
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
GSK3B P49841 2/20 0.56
MAPK1 P28482 2/20 0.56
SRD5A2 P31213 1/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
CYP2A6 P11509 1/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
PTGS2 P35354 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48

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
SCHEMBL15750372 0.92 CES2 (0.59) CES2CES1TSHRALOX15CA1
SCHEMBL815029 0.87 TSHR (0.50) CES2CES1TSHRALOX15CA1
SCHEMBL10697158 0.81 SRD5A2 (0.80) CES2CES1TSHRALOX15CA1
SCHEMBL1681512 0.81 SRD5A2 (0.80) CES2CES1TSHRALOX15CA1
SCHEMBL273857 0.81 CES2 (1.00) CES2CES1TSHRALOX15CA1
SCHEMBL51827 0.81 SRD5A2 (0.80) CES2CES1TSHRALOX15CA1
SCHEMBL9065412 0.81 SRD5A2 (0.80) CES2CES1TSHRALOX15CA1
SCHEMBL1330271 0.79 CES2 (0.65) CES2CES1TSHRALOX15CA1
Hydrochloric Acid SCHEMBL11704986 0.79 SRD5A2 (0.76) CES2CES1TSHRALOX15CA1
SCHEMBL29985694 0.79 SRD5A2 (0.76) CES2CES1TSHRALOX15CA1

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
US-11111348-B2 Method for treating surface of resin material layer and resin material MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2021-09-07 US disclosed
EP-3450488-B1 METHOD FOR TREATING SURFACE OF RESIN MATERIAL LAYER AND RESIN MATERIAL MITSUBISHI HEAVY IND LTD (JP) 2021-03-24 EP disclosed
US-20200317876-A1 METHOD FOR TREATING SURFACE OF RESIN MATERIAL LAYER AND RESIN MATERIAL MITSUBISHI HEAVY INDUSTRIES, LTD. (JP) 2020-10-08 US disclosed
EP-3702355-A1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2020-09-02 EP disclosed
US-8773745-B2 Electrochromic material KYUSHU UNIVERSITY (JP) 2014-07-08 US disclosed
US-20110149367-A1 ELECTROCHROMIC MATERIAL KYUSHU UNIVERSITY (JP) 2011-06-23 US disclosed