SCHEMBL9420549

SCHEMBL9420549

O=C1C2CCCCC12c1ccc(C23CCCCC2C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.38
TBXAS1 P24557 1/20 0.37
RXRA P19793 6/20 0.35
NR4A2 P43354 3/20 0.35
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PRCP P42785 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL11862081 0.71 CYP19A1 (0.45) CYP19A1TBXAS1
SCHEMBL22966075 0.70 CYP19A1 (0.44) CYP19A1TBXAS1
SCHEMBL9295240 0.68 KDM1A (0.44)
SCHEMBL31143852 0.67 KDM1A (0.43)
SCHEMBL9074134 0.66 ESR2 (0.43) ESR1ESR2
SCHEMBL10693750 0.66 SLC6A4 (0.46)
SCHEMBL6320774 0.63 ESR2 (0.48) ESR1ESR2
SCHEMBL1501263 0.63 ESR2 (0.48) ESR1ESR2
SCHEMBL21726285 0.61 SLC6A2 (0.40)
SCHEMBL18033721 0.61 SLC6A2 (0.40)

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
EP-0282436-B1 Polyester composition which is particularly suitable for use in thermoforming thin walled articles SHELL INT RESEARCH (NL) 1994-08-31 EP disclosed
US-4996269-A Polyester composition which is particularly suitable for use in thermoforming thin walled articles THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-02-26 US disclosed
EP-0282436-A2 Polyester composition which is particularly suitable for use in thermoforming thin walled articles SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-14 EP disclosed