SCHEMBL9716677

SCHEMBL9716677

O=C(O)CN(C(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
CES2 O00748 1/20 0.46
MLYCD O95822 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
PDK1 Q15118 2/20 0.43
POLB P06746 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3661402 0.93 ALDH1A1 (0.60) ADRA2CALDH1A1MEN1KMT2ACES2
SCHEMBL3656192 0.93 ALDH1A1 (0.51) ADRA2CALDH1A1MEN1KMT2AHPGD
SCHEMBL698882 0.89 ADRA2C (0.64) ADRA2CALDH1A1MEN1KMT2AHPGD
SCHEMBL10660695 0.85 BACE1 (0.52) ADRA2CALDH1A1MEN1KMT2AHPGD
SCHEMBL9716701 0.85 ADRA2C (0.55) ADRA2CALDH1A1MEN1KMT2AHPGD
SCHEMBL6174036 0.85 ADRA2C (0.51) ADRA2CMEN1KMT2AHPGDNPC1
SCHEMBL6569544 0.85 PKM (0.56) ADRA2CALDH1A1MEN1KMT2AHPGD
SCHEMBL11503381 0.82 ADRA2C (0.49) ADRA2CALDH1A1KMT2ANPC1PDK1
SCHEMBL11503382 0.82 ADRA2C (0.49) ADRA2CALDH1A1MEN1KMT2ANPC1
SCHEMBL3659973 0.82 TSHR (0.54) ALDH1A1MEN1KMT2AHPGDNPC1

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-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed