SCHEMBL9010952

SCHEMBL9010952

O=C(O)CC1=CCC(CCCO)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR2 Q92731 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
SCHEMBL9010854 0.90 ALDH1A1 (0.33) CES2ALOX15CYP1B1ALDH1A1ESR2
SCHEMBL21468156 0.75 CES2 (0.34) CES2ALOX15CYP1B1ALDH1A1
SCHEMBL9010832 0.75
SCHEMBL9010919 0.73 SLC6A12 (0.30)
SCHEMBL23151431 0.72 MAPT (0.43) ALOX15ALDH1A1
SCHEMBL21408667 0.72 MAPT (0.43) ALOX15ALDH1A1
SCHEMBL1813471 0.71 LMNA (0.42) ALOX15ALDH1A1ESR2
SCHEMBL28699297 0.71 ALDH1A1 (0.35) CES2ALOX15CYP1B1ALDH1A1
SCHEMBL23151344 0.71 ALOX5 (0.44) ALOX15ALDH1A1
SCHEMBL23151558 0.70 ALOX5 (0.47) ALOX15ALDH1A1

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-0477983-B1 Unsaturated polylactone acrylates and derivatives thereof UNION CARBIDE CHEM PLASTIC (US) 1996-11-13 EP disclosed
US-5557007-A Unsaturated polylactone acrylates and derivatives thereof UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-09-17 US disclosed
EP-0477983-A2 Unsaturated polylactone acrylates and derivatives thereof UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 EP disclosed