SCHEMBL3418803

SCHEMBL3418803

CC(=Cc1cc(O)cc(C=C(C)C(=O)O)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
PTGS1 P23219 3/20 0.42
NQO2 P16083 3/20 0.42
PTGS2 P35354 2/20 0.42
ESR1 P03372 1/20 0.40
APEX1 P27695 3/20 0.39
CA5A P35218 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.37
SLC9A1 P19634 1/20 0.37
SLC9A3 P48764 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXAS1 P24557 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8746648 1.00 AKR1C3 (0.57) AKR1C3PTGS1NQO2PTGS2ESR1
SCHEMBL8746655 0.91 AKR1C3 (0.67) AKR1C3APEX1SLC9A1SLC9A3SLC9A2
SCHEMBL8746653 0.91 AKR1C3 (0.67) AKR1C3APEX1SLC9A1SLC9A3SLC9A2
SCHEMBL16141472 0.83 AKR1C3 (0.57) AKR1C3APEX1SLC9A1SLC9A3SLC9A2
SCHEMBL5607117 0.81 AKR1C3 (0.67) AKR1C3PTGS1NQO2PTGS2ESR1
SCHEMBL1137220 0.80 AKR1C3 (0.66) AKR1C3ESR1LCKSLC9A1SLC9A3
SCHEMBL1137218 0.80 AKR1C3 (0.66) AKR1C3ESR1LCKSLC9A1SLC9A3
SCHEMBL3138557 0.79 AKR1C3 (0.53) AKR1C3EGFRLCKCYP3A4HPGD
SCHEMBL3138555 0.79 AKR1C3 (0.53) AKR1C3EGFRLCKCYP3A4HPGD
SCHEMBL17041936 0.79 AKR1C3 (0.53) AKR1C3PTGS1PTGS2EGFRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP claimed
EP-0644232-A1 Free radical cured rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-03-22 EP claimed
US-5310811-A Abrasion resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-05-10 US claimed
US-8080603-B2 Low hysteresis rubber elastomer MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2011-12-20 US disclosed
US-20100056686-A1 LOW HYSTERESIS RUBBER ELASTOMER SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2010-03-04 US disclosed
US-20100012241-A1 CUSHION GUM MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2010-01-21 US disclosed
EP-2114696-A1 LOW HYSTERESIS RUBBER ELASTOMER Societe de Technologie Michelin (FR) 2009-11-11 EP disclosed
WO-2008079726-A1 CUSHION GUM SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2008-07-03 WO disclosed
WO-2008079107-A1 LOW HYSTERESIS RUBBER ELASTOMER SOCIETE DE TECHNOLOGIE MICHELIN (FR) 2008-07-03 WO disclosed
EP-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP disclosed
EP-0644232-A1 Free radical cured rubber THE GOODYEAR TIRE & RUBBER COMPANY (US) 1995-03-22 EP disclosed
US-5310811-A Abrasion resistance THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-05-10 US disclosed