SCHEMBL11243095

SCHEMBL11243095

CCc1ccc(C(=O)O)c(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
METAP2 P50579 2/20 0.47
CDC25B P30305 1/20 0.46
CASP6 P55212 1/20 0.46
RCE1 Q9Y256 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
KLKB1 P03952 1/20 0.43
CTSB P07858 1/20 0.43
MMP9 P14780 1/20 0.43
DNMT1 P26358 1/20 0.43
DNMT3B Q9UBC3 1/20 0.43
DNMT3L Q9UJW3 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
IKBKB O14920 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL11243107 0.93 ALDH1A1 (0.47) ALDH1A1METAP2CDC25BCASP6RCE1
SCHEMBL1287171 0.88 ALDH1A1 (0.54) ALDH1A1METAP2CDC25BCASP6RCE1
SCHEMBL28512310 0.86 ALDH1A1 (0.52) ALDH1A1METAP2CDC25BCASP6RCE1
SCHEMBL26803751 0.85 IKBKB (0.42) ALDH1A1METAP2SMN1; SMN2KLKB1IKBKB
SCHEMBL28499997 0.83 ALDH1A1 (0.48) ALDH1A1METAP2CDC25BCASP6RCE1
SCHEMBL10818516 0.82 IKBKB (0.45) ALDH1A1METAP2SMN1; SMN2IKBKBPARP1
SCHEMBL26803752 0.81 IKBKB (0.42) ALDH1A1METAP2SMN1; SMN2RAB9AKLKB1
SCHEMBL23960204 0.79 MKNK1 (0.44) ALDH1A1SMN1; SMN2RAB9AIKBKBPARP1
SCHEMBL4097033 0.79 ALDH1A1 (0.54) ALDH1A1METAP2CDC25BCASP6RCE1
SCHEMBL648210 0.79 ALDH1A1 (0.72) ALDH1A1METAP2CDC25BCASP6RCE1

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-4328339-A Continuous preparation of isatoic anhydride BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-3984406-A FROM AN ALKALI METAL PHTHALAMATE AND A HYPOHALITE IN A HALOGEN CATALYST BASF AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed