SCHEMBL9829583

SCHEMBL9829583

CC[C@@](NC(C)=O)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.42
RECQL P46063 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.39
KCNN4 O15554 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 3/20 0.38
NAPRT Q6XQN6 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL9829581 1.00 CXCR2 (0.42) CXCR2RECQLALDH1A1MAPTKCNN4
SCHEMBL18112805 0.86 ALDH1A1 (0.40) RECQLALDH1A1MAPTKCNN4CYP2C19
SCHEMBL16245171 0.86 ESR1 (0.44) CXCR2RECQLALDH1A1MAPTCYP1A2
SCHEMBL10857937 0.86 MAPT (0.39) RECQLALDH1A1MAPTKCNN4CYP2C19
SCHEMBL10857941 0.86 MAPT (0.39) RECQLALDH1A1MAPTKCNN4CYP2C19
SCHEMBL18112741 0.84 KMT2A (0.43) CXCR2RECQLMAPTKCNN4CYP2C19
SCHEMBL193093 0.83 KCNN4 (0.44) CXCR2ALDH1A1MAPTKCNN4CYP2C19
SCHEMBL3923935 0.83 POLB (0.50) CXCR2CYP2C19HSD17B10LMNAHDAC1
SCHEMBL4450821 0.81 KCNN4 (0.43) CXCR2ALDH1A1MAPTKCNN4CYP2C19
SCHEMBL14306296 0.81 KCNN4 (0.43) CXCR2ALDH1A1MAPTKCNN4CYP2C19

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