SCHEMBL8403701

SCHEMBL8403701

COP(O)(=S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 1/20 0.42
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
CFTR P13569 1/20 0.38
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
LAP3 P28838 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL28900652 0.80 ALDH1A1 (0.53) ESR1ESR2CA2CA4CA5A
SCHEMBL3077044 0.80 ESR1 (0.46) ESR1ESR2CA2CA4CA5A
SCHEMBL3072749 0.80 ESR1 (0.46) ESR1ESR2CA2CA4CA5A
SCHEMBL408021 0.76 SRC (0.54) ESR1ESR2CA2CA4CA5A
SCHEMBL10448565 0.76 ACHE (0.46) ALDH1A1L3MBTL1POLBTSHRMEN1
SCHEMBL27840349 0.75 ESR1 (0.41) ESR1ESR2CA2CA4CA5A
SCHEMBL12458799 0.75 ESR1 (0.41) ESR1ESR2CA2CA4CA5A
SCHEMBL7867610 0.75 CA2 (0.46) ESR1CA2CA4CA5AALDH1A1
Hydrochloric Acid SCHEMBL10810568 0.74 ESR1 (0.41) ESR1ESR2CA2CA4CA5A
Hydrochloric Acid SCHEMBL10815012 0.74 ESR1 (0.41) ESR1ESR2CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824504-B1 IMPROVED DESTRUCTION OF ELECTRON AFFINIC CONTAMINANTS DURING WATER TREATMENT USING FREE RADICAL PROCESSES RES CORP TECHNOLOGIES INC (US) 1999-07-07 EP claimed
US-5762808-A Destruction of electron affinic contaminants during water treatment using free radical processes RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-09 US claimed
EP-0824504-A1 IMPROVED DESTRUCTION OF ELECTRON AFFINIC CONTAMINANTS DURING WATER TREATMENT USING FREE RADICAL PROCESSES Research Corporation Technologies, Inc (US) 1998-02-25 EP claimed
US-5616253-A Dechlorination of TCE with palladized iron RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-04-01 US claimed
US-5611936-A Dechlorination of TCE with palladized iron RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-03-18 US claimed
WO-1996035642-A1 IMPROVED DESTRUCTION OF ELECTRON AFFINIC CONTAMINANTS DURING WATER TREATMENT USING FREE RADICAL PROCESSES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-11-14 WO claimed
US-5759389-A Dechlorination of TCE with palladized iron RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-02 US disclosed
EP-0799159-A1 DECHLORINATION OF TCE WITH PALLADIZED IRON Research Corporation Technologies, Inc (US) 1997-10-08 EP disclosed
US-5616253-A Dechlorination of TCE with palladized iron RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-04-01 US disclosed
US-5611936-A Dechlorination of TCE with palladized iron RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-03-18 US disclosed
WO-1996020137-A1 DECHLORINATION OF TCE WITH PALLADIZED IRON RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-07-04 WO disclosed