SCHEMBL11569683

SCHEMBL11569683

COC(=O)c1cc(N)cc(C(=O)O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
KDM4E B2RXH2 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HPGD P15428 4/20 0.44
ALOX15 P16050 2/20 0.44
CYP3A4 P08684 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
KDR P35968 1/20 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
SCHEMBL11513901 0.92 GAA (0.58) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL17774713 0.84 ALDH1A1 (0.64) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL11253706 0.81 GAA (0.51) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL1271994 0.81 KDM4E (0.61) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL11513909 0.81 ALDH1A1 (0.47) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL30689849 0.80 KDM4E (0.56) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL27201908 0.80 KDM4E (0.56) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL22866262 0.79 GAA (0.49) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL138319 0.79 ALDH1A1 (0.55) GAAALDH1A1TDP1HSD17B10CASP1
SCHEMBL17774710 0.78 ALDH1A1 (0.61) GAAALDH1A1TDP1HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159384-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed
US-4123455-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed