SCHEMBL3915436

SCHEMBL3915436

CC(C)Oc1cc(C(=O)O)c2c(O)cnc(Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EGLN1 Q9GZT9 1/20 0.36
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
P2RX3 P56373 1/20 0.33
GCK P35557 4/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL31430800 0.78 ALDH1A1 (0.56) ALDH1A1EGLN1KMT2AMCL1PRKAB2
SCHEMBL5146422 0.69 ABL1 (0.42) ALDH1A1EGLN1MCL1ABL1
SCHEMBL3915432 0.68 MCL1 (0.44) ALDH1A1KMT2AMCL1PRKAB2PRKAG1
SCHEMBL620760 0.68 ALDH1A1 (0.51) ALDH1A1KMT2AMCL1PRKAB2PRKAG1
SCHEMBL1316975 0.68 ALDH1A1 (0.73) ALDH1A1KMT2AMCL1
SCHEMBL5936887 0.68 PRKAB2 (0.37) ALDH1A1EGLN1KMT2AMCL1PRKAB2
SCHEMBL1793961 0.67 ALDH1A1 (0.67) ALDH1A1KMT2AMCL1KDM4C
SCHEMBL31430857 0.67 ALDH1A1 (0.41) ALDH1A1EGLN1P2RX3ABL1
SCHEMBL28054675 0.67 ALDH1A1 (0.53) ALDH1A1EGLN1KMT2AMCL1KDM4C
SCHEMBL15935967 0.67 ALDH1A1 (0.71) ALDH1A1KMT2AMCL1PRKAB2PRKAG1

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-2035000-A1 HIF HYDROXYLASE INHIBITORS FOR TREATMENT OF ANEMIA OF CANCER FIBROGEN, INC. (US) 2009-03-18 EP disclosed
WO-2007146438-A1 HIF HYDROXYLASE INHIBITORS FOR TREATMENT OF ANEMIA OF CANCER FIBROGEN, INC. (US) 2007-12-21 WO disclosed