SCHEMBL3423716

SCHEMBL3423716

C=C(Cc1cc(CC(=C)C(=O)O)c2ccccc2c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 2/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
CTNNB1 P35222 1/20 0.35
F2 P00734 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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 0.83 TDP1 (0.46) TDP1AKR1B1KMT2AMEN1CYP1A2
SCHEMBL3422957 0.81 TDP1 (0.40) TDP1KMT2AMEN1HPGDKDM4E
SCHEMBL30669215 0.81 TDP1 (0.41) TDP1AKR1B1KMT2AMEN1CYP1A2
SCHEMBL30682546 0.80 TDP1 (0.62) TDP1AKR1B1KMT2AMEN1CYP1A2
SCHEMBL819647 0.80 TDP1 (0.68) TDP1KMT2AMEN1CYP1A2HPGD
SCHEMBL3423595 0.78 MEN1 (0.41) TDP1AKR1B1KMT2AMEN1CYP1A2
SCHEMBL1497455 0.77 KDM4E (0.48) TDP1AKR1B1KMT2AMEN1CYP1A2
SCHEMBL7445814 0.77 ALOX5 (0.53) AKR1B1KMT2AMEN1CYP1A2
SCHEMBL2243225 0.76 TDP1 (0.49) TDP1KMT2AMEN1CYP1A2ALDH1A1
SCHEMBL3422965 0.76 TDP1 (0.46) TDP1AKR1B1KMT2AMEN1CYP1A2

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 11 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-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