SCHEMBL9830815

SCHEMBL9830815

CCCOC(=O)NC(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
CXCR2 P25025 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 4/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9830821 1.00 LMNA (0.45) LMNAALDH1A1SMN1; SMN2GAACXCR2
SCHEMBL10440896 0.92 POLB (0.48) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL9828908 0.88 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2GAACXCR2
SCHEMBL9828915 0.88 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2GAACXCR2
SCHEMBL193093 0.84 KCNN4 (0.44) LMNAALDH1A1SMN1; SMN2GAACXCR2
SCHEMBL5711399 0.84 MEN1 (0.51) LMNAALDH1A1SMN1; SMN2CXCR2POLB
SCHEMBL31329451 0.83 CXCR2 (0.39) ALDH1A1GAACXCR2KDM4EHPGD
SCHEMBL7319974 0.81 CA12 (0.43) GAACXCR2RAB9ANPC1MEN1
SCHEMBL27158981 0.81 CA12 (0.43) GAACXCR2RAB9ANPC1MEN1
SCHEMBL9829583 0.78 CXCR2 (0.42) LMNAALDH1A1CXCR2MAPTKMT2A

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