SCHEMBL5162691

SCHEMBL5162691

CCCCOC(=O)NC(=S)OCCC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ACHE P22303 14/20 0.46
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4430601 0.96 EPHX1 (0.50) EPHX1ACHEALDH1A1ATMMAPT
SCHEMBL5164102 0.93 EPHX1 (0.56) EPHX1ACHEALDH1A1
SCHEMBL6136635 0.92 HPGD (0.43) EPHX1ACHEALDH1A1MAPTHPGD
SCHEMBL5162543 0.91 EPHX1 (0.59) EPHX1ACHE
SCHEMBL5163094 0.89 EPHX1 (0.47) EPHX1ACHEALDH1A1ATMCYP1A2
SCHEMBL2942928 0.89 EPHX1 (0.61) EPHX1ACHE
SCHEMBL10564570 0.89 ALDH1A1 (0.45) EPHX1ACHEALDH1A1ATMMAPT
SCHEMBL4882104 0.89 EPHX1 (0.61) EPHX1ACHE
SCHEMBL5160852 0.87 EPHX1 (0.48) EPHX1ACHEALDH1A1ATMCYP1A2
SCHEMBL10563632 0.85 HPGD (0.41) ACHEALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556170-B1 PROCESS FOR THE BENEFICIATION OF SULFIDE MINERALS CYTEC TECH CORP (US) 2007-03-14 EP claimed
EP-3169439-B1 STABLE AQUEOUS COMPOSITION OF NEUTRAL COLLECTORS AND THEIR USE IN MINERAL BENEFICIATION PROCESSES CLARIANT INT LTD (CH) 2020-09-30 EP disclosed
US-10105713-B2 Stable aqueous composition of neutral collectors and their use in mineral beneficiation processes CLARIANT INTERNATIONAL LTD. (CH) 2018-10-23 US disclosed
US-20170165681-A1 Stable Aqueous Composition Of Neutral Collectors And Their Use In Mineral Beneficiation Processes CLARIANT INTERNATIONAL LTD. (CL) 2017-06-15 US disclosed
EP-1556170-B1 PROCESS FOR THE BENEFICIATION OF SULFIDE MINERALS CYTEC TECH CORP (US) 2007-03-14 EP disclosed