SCHEMBL8616156

SCHEMBL8616156

COc1ccc(N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.48
NPC1L1 Q9UHC9 1/20 0.48
CNR2 P34972 1/20 0.48
SOAT1 P35610 1/20 0.47
PLAU P00749 1/20 0.47
ELANE P08246 1/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
CCR3 P51677 1/20 0.46
EPHX2 P34913 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL11387376 0.81 NPC1L1 (0.63) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL11387381 0.81 NPC1L1 (0.63) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL11387387 0.81 NPC1L1 (0.63) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9545735 0.81 ALDH1A1 (0.43) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9248089 0.81 ALDH1A1 (0.43) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL8616167 0.81 ALDH1A1 (0.43) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL8619315 0.80 SIGMAR1 (0.40) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9384729 0.79 SIGMAR1 (0.39) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9170182 0.79 SIGMAR1 (0.39) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL9170189 0.79 SIGMAR1 (0.39) SIGMAR1ALDH1A1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716948-A 3-substituted carbacephems PFIZER INC. (US) 1998-02-10 US disclosed
US-5665717-A Carbacephalosporin compound, their preparation and use PFIZER INC. (US) 1997-09-09 US disclosed
EP-0689540-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE PFIZER INC. (US) 1996-01-03 EP disclosed
EP-0651755-A1 CEPHALOSPORINS AND 1-CARBA-1-DETHIA CEPHALOSPORINS PFIZER INC. (US) 1995-05-10 EP disclosed
EP-0644886-A1 3-SUBSTITUTED CARBACEPHEMS PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1994021633-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1994-09-29 WO disclosed
WO-1994002489-A1 CEPHALOSPORINS AND 1-CARBA-1-DETHIA CEPHALOSPORINS SMITHKLINE BEECHAM PLC (GB) 1994-02-03 WO disclosed
WO-1993025551-A1 3-SUBSTITUTED CARBACEPHEMS SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed