SCHEMBL11214506

SCHEMBL11214506

CC(C)Cc1ccc(N)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ CDC25B P30305 1/20 0.66
▸ CASP6 P55212 1/20 0.66
▸ RCE1 Q9Y256 1/20 0.66
▸ KDM4E B2RXH2 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ MCL1 Q07820 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GLA P06280 1/20 0.49

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
SCHEMBL27639445 0.86 AKR1C2 (0.48) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL1355668 0.84 AKR1C2 (0.51) ALDH1A1CDC25BCASP6RCE1BLM
SCHEMBL5293594 0.81 ALDH1A1 (0.64) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL4959120 0.81 KLKB1 (0.65) ALDH1A1KDM4EKMT2ABLMMCL1
SCHEMBL17586554 0.81 AKR1C2 (0.49) BLMAKR1C2AKR1C1IKBKETBK1
SCHEMBL648210 0.80 ALDH1A1 (0.72) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL25170829 0.80 ALDH1A1 (0.78) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL29832194 0.80 ALDH1A1 (1.00) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL107442 0.80 ALDH1A1 (1.00) ALDH1A1CDC25BCASP6RCE1KDM4E
SCHEMBL29861837 0.80 ALDH1A1 (1.00) ALDH1A1CDC25BCASP6RCE1KDM4E

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
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 — — EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 — — EP disclosed
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