SCHEMBL3424249

SCHEMBL3424249

C=C(Cc1ccc2cccc(CC(=C)C(=O)O)c2c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
AKR1B1 P15121 1/20 0.42
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MTNR1A P48039 4/20 0.39
MTNR1B P49286 3/20 0.39
NQO2 P16083 2/20 0.39
ATM Q13315 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 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
SCHEMBL3422141 0.88 TDP1 (0.46) TDP1AKR1B1CYP1A2ATMSLC22A12
SCHEMBL819647 0.82 TDP1 (0.68) TDP1CYP1A2ATMKMT2AMEN1
SCHEMBL2243225 0.81 TDP1 (0.49) TDP1CYP2C19CYP1A2MTNR1AMTNR1B
SCHEMBL3422957 0.80 TDP1 (0.40) TDP1ATMKMT2AMEN1LMNA
SCHEMBL26180948 0.80 TDP1 (0.56) TDP1AKR1B1CYP2C19CYP1A2ATM
SCHEMBL7445814 0.79 ALOX5 (0.53) AKR1B1CYP1A2KMT2AMEN1
SCHEMBL3423766 0.78 TDP1 (0.50) TDP1AKR1B1CYP1A2ATMKMT2A
SCHEMBL3421625 0.78 AKR1C3 (0.49) TDP1AKR1B1CYP1A2KMT2AMEN1
SCHEMBL3425725 0.77 PTGS1 (0.43) TDP1AKR1B1CYP1A2KMT2AMEN1
SCHEMBL5047216 0.76 KMT2A (0.58) TDP1CYP1A2CYP2D6ATMKMT2A

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