SCHEMBL3915432

SCHEMBL3915432

CC(C)Oc1cc(O)c2cc(C(=O)O)nc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.44
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.36
BCL2 P10415 2/20 0.36
MDM2 Q00987 2/20 0.36
GPR35 Q9HC97 1/20 0.35
KMO O15229 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL743016 0.77 MCL1 (0.59) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL2908545 0.76 MCL1 (0.53) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL794416 0.76 MCL1 (0.58) MCL1ALDH1A1KMT2ABCL2MDM2
SCHEMBL523239 0.73 EGLN1 (0.50) MCL1ALDH1A1KMT2APRKAB2PRKAG1
SCHEMBL522422 0.70 EGLN1 (0.45) MCL1ALDH1A1KMT2APRKAB2PRKAG1
SCHEMBL5936887 0.69 PRKAB2 (0.37) MCL1ALDH1A1KMT2AKMOPRKAB2
SCHEMBL29196801 0.69 ALDH1A1 (0.52) MCL1ALDH1A1KMT2AALOX15CYP1A2
SCHEMBL3915436 0.68 ALDH1A1 (0.46) MCL1ALDH1A1KMT2APRKAB2PRKAG1
SCHEMBL4078616 0.68 EGLN1 (0.41) MCL1ALDH1A1KMT2APRKAB2PRKAG1
SCHEMBL2816376 0.66 KMO (0.49) MCL1ALDH1A1KMT2AKMOALOX15

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