SCHEMBL9303060

SCHEMBL9303060

CCCCC(c1ccc(O)cc1)P(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
ESR1 P03372 4/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
AR P10275 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL11593555 0.87 NR5A1 (0.46) GAAESR1LMNACYP1A2CYP2D6
SCHEMBL29444204 0.87 ESR1 (0.36) POLBGAAESR1ESR2LMNA
SCHEMBL11459792 0.86 ESR1 (0.38) GAAESR1ESR2LMNACYP1A2
SCHEMBL9862024 0.82 GAA (0.43) GAAESR1LMNACYP1A2CYP2D6
SCHEMBL3234995 0.81 FDPS (0.46) ESR1ESR2LMNACYP1A2CYP2D6
SCHEMBL5664826 0.80 POLB (0.44) POLBGAAESR1ESR2LMNA
SCHEMBL5664657 0.77 POLB (0.50) POLBGAAESR1ESR2LMNA
SCHEMBL23357363 0.77 PTPN2 (0.50) POLBGAALMNAMAPTTSHR
SCHEMBL27794142 0.77 ESR1 (0.36) POLBGAAESR1ESR2LMNA
SCHEMBL9303065 0.74 ESR1 (0.37) ESR1ESR2LMNACYP1A2CYP2D6

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-5372924-A Plastic support, first layer containing polythiophene and second layer containing prepolymer curable by exposure to ionizing radiation AGFA GEVAERT AKTIENGESELLSCHAFT (DE) 1994-12-13 US disclosed
US-4387170-A Process for the production of foamed materials from polyolefins DYNAMIT NOBEL AG (DE) 1983-06-07 US disclosed
US-4076690-A 3-CHLORO-5-ALKYL-4-HYDROXYPHENYL(ALKYL)PHOSPHONATES CIBA-GEIGY CORPORATION (US) 1978-02-28 US disclosed