SCHEMBL4596567

SCHEMBL4596567

Cc1c(C(=O)O)cccc1-c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MYC P01106 1/20 0.45
GPR35 Q9HC97 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGER1 P34995 1/20 0.43
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.42
PTPN1 P18031 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
FTO Q9C0B1 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7510205 0.87 MAPT (0.46) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL2417969 0.85 ALDH1A1 (0.49) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL21384934 0.83 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1HCRTR1
SCHEMBL22261511 0.83 ALDH1A1 (0.53) KDM4ENPC1RAB9AALDH1A1POLB
SCHEMBL932848 0.82 ALOX15 (0.53) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL27465954 0.81 KDM4E (0.52) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL7159232 0.80 G6PD (0.49) KDM4EALDH1A1HPGDPOLBMYC
SCHEMBL7125127 0.80 DHODH (0.49) KDM4EALDH1A1HPGDGPR35LMNA
SCHEMBL5046158 0.80 MYC (0.59) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL11482371 0.80 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed
US-4426524-A Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates FMC CORPORATION (US) 1984-01-17 US disclosed