SCHEMBL9310050

SCHEMBL9310050

COc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.50
ANPEP P15144 2/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
TPMT P51580 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL9029677 1.00 MMP2 (0.50) MMP2ANPEPCA12CA1CA2
SCHEMBL9310068 1.00 MMP2 (0.50) MMP2ANPEPCA12CA1CA2
SCHEMBL21697319 0.90 MMP2 (0.50) MMP2ANPEPCA12CA1CA2
SCHEMBL9028843 0.90 MMP2 (0.50) MMP2ANPEPCA12CA1CA2
SCHEMBL9028847 0.90 MMP2 (0.50) MMP2ANPEPCA12CA1CA2
SCHEMBL9310091 0.89 ANPEP (0.64) MMP2ANPEPCA12CA1CA2
SCHEMBL9028374 0.86 MMP2 (0.56) MMP2ANPEPATMKMT2ACYP1A2
SCHEMBL9029658 0.86 MMP2 (0.56) MMP2ANPEPATMKMT2ACYP1A2
SCHEMBL9307811 0.84 ALDH1A1 (0.55) MMP2ANPEPCA12CA1CA2
SCHEMBL9028712 0.83 GAA (0.50) MMP2ATMKMT2ATSHRALDH1A1

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed