SCHEMBL3915045

SCHEMBL3915045

CC(=O)NC(C)(C)C(C)=S

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
TAS2R38 P59533 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ELANE P08246 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
NFKB1 P19838 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL11683093 0.81 EPHX1 (0.44) EPHX1TAS2R38MEN1KMT2AKDM4E
SCHEMBL9913287 0.79 EPHX1 (0.40) EPHX1KDM4EELANECA2PTGS1
SCHEMBL6471708 0.74 KDM4C (0.46) EPHX1KDM4EELANECA2PTGS1
SCHEMBL11683952 0.72 EPHX1 (0.36) EPHX1KDM4EELANECA2PTGS1
SCHEMBL8471567 0.72 CRBN (0.39) EPHX1TAS2R38KMT2AKDM4EELANE
SCHEMBL12563721 0.70 ELANE (0.43) EPHX1MEN1KMT2AKDM4EELANE
SCHEMBL6363154 0.69
SCHEMBL124179 0.69
SCHEMBL27265453 0.69 EPHX1 (0.42) EPHX1TAS2R38KDM4ECA2PTGS1
SCHEMBL15670607 0.67

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-1381463-B1 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC (US) 2009-03-11 EP disclosed
US-6740684-B2 FORMING OXYGEN AND METAL RESISTANT CATALYST FOR PRODUCTION OF BISPHENOL A; PARTIALLY NEUTRALIZING WITH ALKYLCARBAMOYL ALKYLTHIOESTER DOW GLOBAL TECHNOLOGIES INC. 2004-05-25 US disclosed
EP-1381463-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2004-01-21 EP disclosed
US-20030212151-A1 Process for producing a strong-acid cation exchange resin DOW CHEMICAL COMPANY, THE 2003-11-13 US disclosed
WO-2002024335-A2 PROCESS FOR PRODUCING A STRONG-ACID CATION EXCHANGE RESIN DOW GLOBAL TECHNOLOGIES INC. (US) 2002-03-28 WO disclosed