SCHEMBL9863302

SCHEMBL9863302

CCCCOC(=O)C1=C(C(=O)OCCCC)OCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 7/20 0.40
LMNA P02545 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP2D6 P10635 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL11116834 0.91 TSHR (0.40) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL9862999 0.85 TSHR (0.46) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL234625 0.80 TSHR (0.52) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL11564363 0.76 TSHR (0.55) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL9863146 0.74 TSHR (0.46) TSHRTDP1L3MBTL1ESR1LMNA
SCHEMBL8975464 0.74 TSHR (0.54) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL9863046 0.74 TSHR (0.54) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL16732318 0.74 TSHR (0.54) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL16732313 0.74 TSHR (0.54) TSHRESR1LMNAMAPK1CYP3A4
SCHEMBL17744749 0.72 TSHR (0.53) TSHRESR1LMNAMAPK1CYP3A4

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 8 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
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-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