SCHEMBL9829636

SCHEMBL9829636

CCCC(=O)N[C@](CC)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 2/20 0.43
RECQL P46063 1/20 0.43
CXCR2 P25025 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ADORA1 P30542 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9829630 1.00 ALOX5 (0.46) ALOX5ALDH1A1MAPTHPGDCYP2C19
SCHEMBL4370388 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTSMN1; SMN2
SCHEMBL9829581 0.81 CXCR2 (0.42) ALOX5ALDH1A1MAPTCYP2C19RECQL
SCHEMBL9829583 0.81 CXCR2 (0.42) ALOX5ALDH1A1MAPTCYP2C19RECQL
SCHEMBL23748784 0.81 ALDH1A1 (0.49) ALOX5ALDH1A1MAPTHPGDCYP2C19
SCHEMBL9214760 0.81 HDAC6 (0.41) CXCR2L3MBTL1CYP3A4RAB9AHTT
SCHEMBL18112741 0.80 KMT2A (0.43) MAPTCYP2C19RECQLCXCR2L3MBTL1
SCHEMBL12286073 0.80 ALOX5 (0.51) ALOX5ALDH1A1MAPTHPGDCYP2C19
SCHEMBL9828915 0.79 KDM4E (0.51) ALDH1A1MAPTHPGDRECQLCXCR2
SCHEMBL9828908 0.79 KDM4E (0.51) ALDH1A1MAPTHPGDRECQLCXCR2

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed