SCHEMBL9863142

SCHEMBL9863142

CCCCOC(=O)c1sc2ccccc2c1C(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
MAPK1 P28482 3/20 0.58
ALDH1A1 P00352 9/20 0.54
MAPT P10636 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CNR2 P34972 3/20 0.50
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NOD2 Q9HC29 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9495721 0.85 LMNA (0.65) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL28435284 0.85 TSHR (0.51) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL13610219 0.81 ALDH1A1 (0.55) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL9495716 0.77 ALDH1A1 (0.64) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL10731867 0.75 TSHR (0.50) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL11659205 0.75 LMNA (0.58) LMNAMAPK1ALDH1A1MAPTTDP1
SCHEMBL6759279 0.75 ALDH1A1 (0.57) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL9495325 0.74 LMNA (1.00) LMNAMAPK1ALDH1A1MAPTTSHR
SCHEMBL15910310 0.74 TSHR (0.58) LMNAMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL27728586 0.73 TSHR (0.57) LMNAMAPK1ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US claimed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
EP-0115195-B1 CATALYST COMPOSITION FOR USE IN THE POLYMERIZATION OF OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-09-26 EP disclosed
US-4841003-A CCODINATION CATALYST CONTAINING MAGNESIUM, TITANIUM, HALOGEN, LEWIS BASE AND ORGANOALUMINUM COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-20 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 US disclosed
EP-0115195-A1 Catalyst composition for use in the polymerization of olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-08-08 EP disclosed