SCHEMBL9629329

SCHEMBL9629329

CCCCCOC(=O)c1ccc(C(=O)OCCCC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.79
LMNA P02545 3/20 0.79
CYP1A2 P05177 2/20 0.79
CYP2C19 P33261 2/20 0.79
MAPK1 P28482 2/20 0.79
ESR1 P03372 2/20 0.79
CYP2D6 P10635 1/20 0.79
NR1H2 P55055 1/20 0.79
RNASEL Q05823 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
ALDH1A1 P00352 2/20 0.77
NPC1 O15118 1/20 0.77
MAPT P10636 1/20 0.77
RAB9A P51151 1/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2C9 P11712 1/20 0.77
PDE4D Q08499 1/20 0.77
STS P08842 7/20 0.71
HPGD P15428 1/20 0.68
RECQL P46063 1/20 0.68

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
SCHEMBL10332460 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL10332277 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL9615304 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL16393756 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL10332559 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL9356165 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL9181459 0.98 ALDH1A1 (0.81) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL1994995 0.98 ALDH1A1 (0.80) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL108412 0.96 ALDH1A1 (0.83) TSHRLMNACYP1A2CYP2C19MAPK1
SCHEMBL9355782 0.96 ALDH1A1 (0.83) TSHRLMNACYP1A2CYP2C19MAPK1

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
EP-0263516-B1 A SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION CATALYSTS TOHO TITANIUM CO. LTD. (JP) 1992-04-22 EP disclosed
US-4847227-A COORDINATION CATALYSTS, DIETHOXYMAGNESIUM, TITANIUM TETRACHLORIDE, DIESTERS OF AROMATICDICARBOXYLIC ACIDS AND CALCIUM CHLORIDE TOHO TITANIUM CO., LTD. (JP) 1989-07-11 US disclosed
US-4839321-A COORDINATION CATALYST CONTAINING DIETHOXY MAGNESIUM, CALCIUM CHLORIDE, SILICON COMPOUND, TITANIUM TETRACHLORIDE, AROMATIC DIESTER, AND ORGANOALUMINUM COMPOUND TOHO TITANIUM CO., LTD. (JP) 1989-06-13 US disclosed
EP-0263516-A2 A solid catalyst component for olefin polymerization catalysts TOHO TITANIUM CO. LTD. (JP) 1988-04-13 EP disclosed