SCHEMBL8871075

SCHEMBL8871075

COC(C(=O)O)c1csc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.41
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 9/20 0.40
MAPT P10636 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 4/20 0.38
NOS1 P29475 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 2/20 0.36
GFER P55789 1/20 0.35
GAA P10253 1/20 0.35
KDM6B O15054 1/20 0.35

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
SCHEMBL21044317 0.85 ALDH1A1 (0.42) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL27785479 0.81 ALDH1A1 (0.36) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL1565803 0.79 HSD17B10 (0.46) HSD17B10GABRA5GABRB2BACE1ALDH1A1
Hydrochloric Acid SCHEMBL1758691 0.77 HSD17B10 (0.44) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL10506090 0.77 HSD17B10 (0.47) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL10753156 0.76 BACE1 (0.41) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL9355248 0.76 BACE1 (0.41) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL14003554 0.75 GABRA5 (0.46) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL7192491 0.75 HSD17B10 (0.46) HSD17B10GABRA5GABRB2BACE1ALDH1A1
SCHEMBL22869105 0.74 CTPS1 (0.41) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665717-A Carbacephalosporin compound, their preparation and use PFIZER INC. (US) 1997-09-09 US disclosed
EP-0689540-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE PFIZER INC. (US) 1996-01-03 EP disclosed
WO-1994021633-A1 CARBACEPHALOSPORIN COMPOUND, THEIR PREPARATION AND USE SMITHKLINE BEECHAM PLC (GB) 1994-09-29 WO disclosed
US-4534896-A 3-Acylamino-2-oxoazetidine-1-(β-oxopropionic acid) E. R. SQUIBB & SONS, INC. (US) 1985-08-13 US disclosed