SCHEMBL6259485

SCHEMBL6259485

CCC/C=C(\C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.50
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CES2 O00748 5/20 0.44
CES1 P23141 5/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C3 P42330 2/20 0.44
LMNA P02545 1/20 0.43
PTGS2 P35354 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MTNR1A P48039 1/20 0.40

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
SCHEMBL8041704 1.00 AKR1C1 (0.50) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8041709 1.00 AKR1C1 (0.50) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL2109360 0.90 SMN1; SMN2 (0.53) ALDH1A1CYP1A2CYP3A4KMT2AMEN1
SCHEMBL524133 0.89 CES2 (0.47) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL8157814 0.89 CES2 (0.47) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL597781 0.87 EP300 (0.50) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL597783 0.87 EP300 (0.50) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL14763931 0.87 CES2 (0.45) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL6963015 0.87 CYP3A4 (0.48) AKR1C1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL6666634 0.86 EP300 (0.53) AKR1C1CES2CES1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494186-B1 INKJET INK COMPOSITION HEWLETT PACKARD DEVELOPMENT CO (US) 2020-04-15 EP claimed
EP-2920272-B1 METHODS FOR ARRAY SYNTHESIS VIBRANT HOLDINGS LLC (US) 2019-08-21 EP disclosed
EP-1274785-B1 BEAD POLYMERIZATES CONTAINING HALOGEN-FREE PHOSPHORUS COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2005-09-21 EP disclosed
EP-1274785-A1 BEAD POLYMERIZATES CONTAINING HALOGEN-FREE PHOSPHORUS COMPOUNDS Bayer Aktiengesellschaft (DE) 2003-01-15 EP disclosed
EP-1221838-A1 MICROCAPSULES Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
WO-2001066636-A1 BEAD POLYMERIZATES CONTAINING HALOGEN-FREE PHOSPHORUS COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed
WO-2001024631-A1 MICROCAPSULES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
WO-2001005223-A1 GRANULATES TO BE STREWN BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed
WO-2000062611-A1 PEARL POLYMER CONTAINING AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-26 WO disclosed
WO-2000047674-A1 THERMOPLASTIC MOULDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-17 WO disclosed
EP-0534236-A2 Moulding compositions of polymethylmethacrylate with high heat resistance BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
EP-0523511-A1 Receiving sheet for the thermosublimation printing process Agfa-Gevaert AG (DE) 1993-01-20 EP disclosed
EP-0499099-A1 Receiving element for a thermosublimation process Agfa-Gevaert AG (DE) 1992-08-19 EP disclosed
EP-0493673-A2 By air humidity self curable copolymers and mixtures BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed
EP-0492405-A1 Graft copolymers from acrylate and methylacrylate RÖHM GMBH (DE) 1992-07-01 EP disclosed
EP-0482471-A2 Accepting element for thermo-sublimation print process Agfa-Gevaert AG (DE) 1992-04-29 EP disclosed
EP-0472852-A2 Preparation of a shock resistant polyacrylic ester-polyvinylchloride graft polymer VESTOLIT GmbH (DE) 1992-03-04 EP disclosed
EP-0368094-A1 Impact-resistant protection methacrylate layer containing a UV absorber for polycarbonate RÖHM GMBH (DE) 1990-05-16 EP disclosed
EP-0297285-A2 Compatible blends of polycarbonate and polymethacrylate Röhm GmbH (DE) 1989-01-04 EP disclosed
EP-0195942-A2 Process for the preparation of free-flowing polyvinyl chloride with a high amount of acrylate rubber HÜLS AKTIENGESELLSCHAFT (DE) 1986-10-01 EP disclosed