SCHEMBL9829318

SCHEMBL9829318

C[C@@](CO)(NC(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
HDAC8 Q9BY41 2/20 0.51
MMP3 P08254 1/20 0.51
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CXCR2 P25025 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DEGS1 O15121 1/20 0.44
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL9829308 1.00 PLK1 (0.54) PLK1HDAC8MMP3NR4A1NR4A2
SCHEMBL10662287 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL9831154 0.81 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL6464894 0.80 PLK1 (0.66) PLK1HDAC8MMP3NR4A1NR4A2
SCHEMBL5580414 0.77 CCR3 (0.48) MEN1KMT2AGAA
SCHEMBL5580412 0.77 CCR3 (0.48) MEN1KMT2AGAA
SCHEMBL9828829 0.77 POLB (0.57) HDAC8KMT2ANPC1RAB9AALDH1A1
SCHEMBL9828824 0.77 POLB (0.57) HDAC8KMT2ANPC1RAB9AALDH1A1
SCHEMBL27693288 0.75 CXCR2 (0.54) CXCR2MEN1KMT2ANPC1RAB9A
SCHEMBL10587317 0.73 PLK1 (0.66) PLK1HDAC8MMP3NR4A1NR4A2

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