SCHEMBL9684618

SCHEMBL9684618

Cn1c(=O)oc2cc(C(=O)CCC(=O)O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 1/20 0.63
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
APEX1 P27695 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.44
KMO O15229 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL14741026 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL10393870 0.86 ALDH1A1 (0.59) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL8541265 0.86 ALDH1A1 (0.59) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL9367537 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL10392904 0.84 ALDH1A1 (0.63) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL8787295 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL8948117 0.83 ALDH1A1 (0.62) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL23123120 0.82 ALDH1A1 (0.55) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL474056 0.82 ALDH1A1 (0.73) ALDH1A1HPGDKMT2AMEN1TP53
SCHEMBL23123168 0.81 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AMEN1TP53

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
US-5147883-A Antiischemic, stroke ADIR ET COMPAGNIE (FR) 1992-09-15 US disclosed