SCHEMBL9425191

SCHEMBL9425191

COc1cc2c(cc1OC)CN(CC(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MPI P34949 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 6/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.46
ABCB1 P08183 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6806983 0.89 L3MBTL1 (0.68) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL14876546 0.88 L3MBTL1 (0.66) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL9425197 0.77 HSD17B10 (0.36) KDM4EMAPTHPGDGAALMNA
SCHEMBL5276997 0.77 CA2 (0.45) ALDH1A1KDM4EKMT2ANPC1
SCHEMBL2799283 0.77 MAPT (0.66) L3MBTL1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL520569 0.76 L3MBTL1 (0.43) L3MBTL1ALDH1A1KDM4EMAPTNPSR1
SCHEMBL12226493 0.76 L3MBTL1 (0.72) L3MBTL1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL2812377 0.76 ABHD6 (0.55) ALDH1A1KDM4EMAPTALOX15NPSR1
SCHEMBL10383656 0.75 ABCB1 (0.56) L3MBTL1ALDH1A1KDM4EMAPTALOX15
SCHEMBL14876328 0.74 L3MBTL1 (0.66) L3MBTL1ALDH1A1KDM4EMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed