SCHEMBL10148477

SCHEMBL10148477

Cc1cc(C)n2c(-c3ccc(C(=O)O)cc3)cc(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 2/20 0.39
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL10123702 0.80 RXRA (0.44) RXRARXRBALDH1A1MAPTPKM
SCHEMBL10148986 0.78 RXRA (0.44) RXRARXRBALDH1A1MAPTPKM
SCHEMBL10148487 0.69 KDM4E (0.38) RXRARXRBALDH1A1MAPTPKM
SCHEMBL3639186 0.66 RXRA (1.00) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL7923941 0.65 MAP4K4 (0.56) RXRARXRBALDH1A1MAPTSMN1; SMN2
Aminobenzoic Acid SCHEMBL17712652 0.65 RXRA (0.62) RXRARXRBALDH1A1MAPTSMN1; SMN2
SCHEMBL13522875 0.64 ALDH1A1 (0.63) RXRARXRBALDH1A1SMN1; SMN2MAP4K4
Terephthalic Acid SCHEMBL27850877 0.63 TPMT (0.76) RXRARXRBALDH1A1MAPTSMN1; SMN2
SCHEMBL13888048 0.63 ALDH1A1 (0.85) RXRARXRBALDH1A1MAPTSMN1; SMN2
SCHEMBL308875 0.63 ALDH1A1 (0.85) RXRARXRBALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415771-A1 INDOLIZINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2012-02-08 EP disclosed