SCHEMBL5335495

SCHEMBL5335495

CC=CC=CC(=O)Oc1ccc(C(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
STS P08842 1/20 0.49
CYP1A2 P05177 3/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 1/20 0.49
MAOA P21397 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 5/20 0.44

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
SCHEMBL4905564 0.89 MAPT (0.53) ESR1STSCYP1A2CYP3A4LMNA
SCHEMBL8025050 0.87 ESR1 (0.56) ESR1STSCYP1A2CYP3A4LMNA
SCHEMBL3464400 0.83 KMT2A (0.55) CA12CA1CA2CA7CA9
SCHEMBL3464402 0.83 KMT2A (0.55) CA12CA1CA2CA7CA9
SCHEMBL22796473 0.80 POLB (0.52) LMNAMEN1KMT2AMAPTCYP2C19
SCHEMBL7100110 0.80 HSD17B10 (0.50) CA1CA2MEN1KMT2AHPGD
SCHEMBL10344282 0.79 PRSS1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL1061004 0.78 THRB (0.57) CA12CA1CA2CA7CA9
Ethylparaben SCHEMBL5335493 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL8747591 0.78 CA1 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863434-A2 A STABLE AQUEOUS-BASED EMULSION FORMULATION COMPRISING UREA AND SALICYLIC ACID AND METHOD OF USING SAME Taro Pharmaceuticals U.S.A., Inc. (US) 2007-12-12 EP claimed
US-20060246098-A1 Stable aqueous-based emulsion formulation comprising urea and salicylic acid and method of using same TARO PHARMACEUTICAL NORTH AMERICA, INC. (KY) 2006-11-02 US claimed
WO-2006102004-A2 A STABLE AQUEOUS-BASED EMULSION FORMULATION COMPRISING UREA AND SALICYLIC ACID AND METHOD OF USING SAME TARO PHARMACEUTICALS U.S.A., INC. (US) 2006-09-28 WO claimed
EP-1863434-A2 A STABLE AQUEOUS-BASED EMULSION FORMULATION COMPRISING UREA AND SALICYLIC ACID AND METHOD OF USING SAME Taro Pharmaceuticals U.S.A., Inc. (US) 2007-12-12 EP disclosed
US-20060246098-A1 Stable aqueous-based emulsion formulation comprising urea and salicylic acid and method of using same TARO PHARMACEUTICAL NORTH AMERICA, INC. (KY) 2006-11-02 US disclosed
WO-2006102004-A2 A STABLE AQUEOUS-BASED EMULSION FORMULATION COMPRISING UREA AND SALICYLIC ACID AND METHOD OF USING SAME TARO PHARMACEUTICALS U.S.A., INC. (US) 2006-09-28 WO disclosed