SCHEMBL18113261

SCHEMBL18113261

CCOC(=O)CCCSC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.46
TBXAS1 P24557 3/20 0.46
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PDE5A O76074 1/20 0.45
TOP2A P11388 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL18113163 0.91 POLB (0.49) ALDH1A1L3MBTL1CYP4F2CYP4A11PTGDR2
SCHEMBL18113085 0.81 KMT2A (0.55) ALDH1A1L3MBTL1POLBKMT2ACYP3A4
SCHEMBL18113234 0.79 TSHR (0.46) ALDH1A1L3MBTL1KDM4EPOLBKMT2A
SCHEMBL6057163 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMAPT
SCHEMBL8308737 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2KMT2ACYP2C19
SCHEMBL18113053 0.78 MAPT (0.44) ALDH1A1L3MBTL1CYP4F2CYP4A11SMN1; SMN2
SCHEMBL31131464 0.78 KMT2A (0.49) ALDH1A1L3MBTL1SMN1; SMN2KDM4EPOLB
SCHEMBL7909243 0.78 KMT2A (0.49) ALDH1A1L3MBTL1SMN1; SMN2KDM4EPOLB
SCHEMBL23336564 0.78 MAPK1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2KDM4EPOLB
SCHEMBL5147538 0.78 L3MBTL1 (0.63) ALDH1A1L3MBTL1CYP4F2CYP4A11TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428870-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-06-14 CN disclosed
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 EP disclosed
CN-107428870-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2017-12-01 CN disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 WO disclosed