SCHEMBL2224262

SCHEMBL2224262

CCc1cc(C(=N)NO)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
ALDH1A1 P00352 1/20 0.44
BCL2 P10415 1/20 0.38
MEP1B Q16820 6/20 0.36
DAO P14920 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CREBBP Q92793 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TPMT P51580 1/20 0.35
MEP1A Q16819 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL1353367 0.83 ALDH1A1 (0.60) RXRARXRBALDH1A1BCL2DAO
SCHEMBL334347 0.79 RXRA (0.64) RXRARXRBALDH1A1BCL2DAO
SCHEMBL23279535 0.77 KDM4E (0.49) RXRARXRBALDH1A1LOXL2
SCHEMBL2228843 0.77 HCAR1 (0.52) ALDH1A1TPMT
SCHEMBL2228769 0.76 RXRA (0.45) RXRAMEN1KMT2ATPMTPTGS2
SCHEMBL2228040 0.76 ALDH1A1 (0.52) RXRARXRBALDH1A1BCL2DAO
SCHEMBL27646038 0.76 ALDH1A1 (0.52) RXRARXRBALDH1A1BCL2DAO
SCHEMBL2228271 0.72 GPR35 (0.39) MEP1BMEN1KMT2A
SCHEMBL22396426 0.72 CES2 (0.46) RXRARXRB
SCHEMBL22396440 0.72 KMT2A (0.49) RXRARXRBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed