SCHEMBL9325575

SCHEMBL9325575

C=CCOC(=O)c1cn(CCO)nn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SNCA P37840 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.34
GLS O94925 1/20 0.34

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
SCHEMBL26374542 0.92 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL23627235 0.91 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL26374615 0.89 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL23627261 0.89 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL26381267 0.84 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL23627266 0.81 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL26374547 0.79 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL26381323 0.79 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL26374578 0.78 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD
SCHEMBL26374612 0.77 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321186-B1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1994-03-02 EP disclosed
EP-0321187-B1 6-(SUBSTITUTED METHYLENE)PENEMS BEECHAM GROUP PLC (GB) 1993-07-28 EP disclosed
US-4931434-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-06-05 US disclosed
US-4923856-A Penem compounds BEECHAM GROUP P.L.C. (GB) 1990-05-08 US disclosed
EP-0321186-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed
EP-0321187-A1 6-(Substituted methylene)penems BEECHAM GROUP PLC (GB) 1989-06-21 EP disclosed