SCHEMBL4734776

SCHEMBL4734776

COc1cc(NC(=O)CSc2ccccc2)c(C(=O)O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
TP53 P04637 1/20 1.00
KDM4E B2RXH2 7/20 0.84
CYP1A2 P05177 2/20 0.84
CYP3A4 P08684 2/20 0.84
CYP2C9 P11712 2/20 0.84
CYP2C19 P33261 2/20 0.84
HPGD P15428 3/20 0.67
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
LMNA P02545 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
GPR55 Q9Y2T6 1/20 0.61
CTSL P07711 1/20 0.59
CRHBP P24387 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL4732913 0.91 KDM4E (1.00) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL4734522 0.89 ALDH1A1 (0.80) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL4736958 0.84 ALDH1A1 (0.72) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL11309848 0.81 ALDH1A1 (0.68) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL4737229 0.79 ALDH1A1 (0.80) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL11306230 0.79 ALDH1A1 (0.65) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL11309070 0.78 ALDH1A1 (0.67) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL2841191 0.78 KDM4E (0.64) ALDH1A1TP53KDM4ECYP1A2CYP3A4
SCHEMBL8485405 0.78 LMNA (1.00) ALDH1A1TP53KDM4EMAPTSMN1; SMN2
SCHEMBL4732827 0.76 L3MBTL1 (1.00) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9

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
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO claimed
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed