SCHEMBL4744334

SCHEMBL4744334

CCCCOC(=O)Nc1ccc(C(=O)OC)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.73
ALDH1A1 P00352 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
KDM4E B2RXH2 1/20 0.73
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
CASP1 P29466 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.59
CYP1A2 P05177 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP2C9 P11712 2/20 0.52
ESR1 P03372 4/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
XDH P47989 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
SCHEMBL1080670 0.82 HPGD (0.73) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL27822302 0.81 KDM4E (0.64) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL15552811 0.80 SMN1; SMN2 (0.60) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL4355643 0.78 SMN1; SMN2 (0.51) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL7378894 0.77 SMN1; SMN2 (0.68) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL14149879 0.77 ESR1 (0.62) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL12650499 0.76 CA12 (0.56) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL18191549 0.75 HPGD (0.60) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL4218090 0.75 ALDH1A1 (0.64) HPGDALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL6261199 0.75 XDH (0.62) HPGDALDH1A1L3MBTL1KDM4ERAB9A

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-2008112939-A2 COMPOSITION AND METHOD FOR MAKING OLIGO-BENZAMIDE COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO disclosed
WO-2008112941-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY A PEPTIDE RECEPTOR BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO disclosed
WO-2008112938-A2 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY A PEPTIDE RECEPTOR NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 2008-09-18 WO disclosed