SCHEMBL7552081

SCHEMBL7552081

CCCCOC(C)OC(C)OC(=O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.59
TSHR P16473 4/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
MAPK1 P28482 1/20 0.59
NR1H2 P55055 1/20 0.59
RNASEL Q05823 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ALDH1A1 P00352 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL7548557 0.96 ESR1 (0.54) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL3339618 0.94 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL3343023 0.94 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7546150 0.94 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL3371263 0.94 TSHR (0.52) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL17797860 0.94 TSHR (0.51) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7545732 0.93 ESR1 (0.64) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL17798303 0.93 TSHR (0.50) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL28518170 0.93 TSHR (0.50) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL17797881 0.89 LMNA (0.47) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032303-A1 Alkoxy-(0-7-(alkyloxy))alkyl p-hydroxybenzoates; high-temperature volatilization resistance and low-temperature impact resistance. NEW JAPAN CHEMICAL CO., LTD. (JP) 2002-03-14 US disclosed
US-6348563-B1 2*-ETHYLHEXYLOXYETHOXYETHYL P-HYDROXYBENZOATE COMPATIBLE WITH POLYLAUROLACTAM AND POLYUNDECANOLACTAM; LOW VOLATILITY; HEAT AND COLD RESISTANCE; IMPACT STRENGTH, FLEXIBILITY NEW JAPAN CHEMICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0974575-A1 p-HYDROXYBENZOIC ESTERS, PLASTICIZER CONTAINING THE SAME, POLYAMIDE RESIN COMPOSITION, AND MOLDED OBJECTS NEW JAPAN CHEMICAL CO.,LTD. (JP) 2000-01-26 EP disclosed