SCHEMBL9356201

SCHEMBL9356201

COc1ccc(COc2ccc(C(=O)N3CCN(C)CC3)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
USP2 O75604 1/20 0.62
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
DRD3 P35462 5/20 0.54
MAPT P10636 1/20 0.53
DRD2 P14416 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL7516932 0.97 TP53 (0.64) HPGDUSP2TP53SMN1; SMN2HSD17B10
SCHEMBL9359712 0.88 ALDH1A1 (0.57) HPGDUSP2TP53SMN1; SMN2ALDH1A1
SCHEMBL9356310 0.84 HPGD (0.60) HPGDUSP2TP53SMN1; SMN2ALDH1A1
SCHEMBL12381384 0.83 L3MBTL1 (0.56) HPGDTP53SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL14699972 0.80 KMT2A (0.74) HPGDTP53SMN1; SMN2ALDH1A1NPC1
SCHEMBL10053023 0.79 HPGD (0.75) HPGDALDH1A1L3MBTL1NPC1DRD3
SCHEMBL7469360 0.79 MRGPRX4 (0.71) HPGDTP53SMN1; SMN2NPC1RAB9A
SCHEMBL8983023 0.79 SMN1; SMN2 (0.57) HPGDSMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL29556803 0.79 MRGPRX4 (0.71) HPGDTP53SMN1; SMN2NPC1RAB9A
SCHEMBL16134867 0.78 POLB (0.70) HPGDTP53SMN1; SMN2ALDH1A1L3MBTL1

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
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed