SCHEMBL3411005

SCHEMBL3411005

O=C(S)C(S)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.58
CYP1A2 P05177 1/20 0.54
CPA3 P15088 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPA1 P15085 4/20 0.50
ACE P12821 4/20 0.50
ACE2 Q9BYF1 2/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
MDM2 Q00987 1/20 0.48
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4838500 0.84 MME (0.65) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL498453 0.84 MME (0.65) MMECYP1A2CPA3FOLH1CPA1
Hydrochloric Acid SCHEMBL7054010 0.83 MME (0.62) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL25432477 0.81 EPHX1 (0.58) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL8240623 0.81 EPHX1 (0.58) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL5609028 0.81 MME (0.56) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL2456064 0.81 MME (0.56) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL7054003 0.81 MME (0.56) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL1128352 0.79 MDM2 (0.66) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL11599382 0.79 MME (0.53) MMECYP1A2CPA3FOLH1CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268925-B2 Graft copolymer and compositions thereof LUBRIZOL LIMITED (GB) 2012-09-18 US disclosed
US-20100152339-A1 Graft Copolymer And Compositions Thereof LUBRIZOL LIMITED (GB) 2010-06-17 US disclosed
EP-2150333-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF Lubrizol Limited (GB) 2010-02-10 EP disclosed
WO-2008145613-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF LUBRIZOL LIMITED (GB) 2008-12-04 WO disclosed