SCHEMBL10890403

SCHEMBL10890403

CCC1CC(=O)N1NC(C)=O.c1cc2cc-2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
KLK7 P49862 1/20 0.32
LMNA P02545 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
POLB P06746 1/20 0.31
NR4A1 P22736 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL11487482 0.88 KMT2A (0.33) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL11363297 0.86 KMT2A (0.32) BRD4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10542287 0.86 MTNR1A (0.38) MTNR1AMTNR1BITGB1
SCHEMBL10884861 0.84 ALDH1A1 (0.35) BRD4ALDH1A1KMT2AMEN1KDM4E
SCHEMBL11538730 0.81 KMT2A (0.34) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL8014019 0.80 KDM4E (0.38) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL8019417 0.80 KDM4E (0.38) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL11542905 0.77 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL11473393 0.77 KMT2A (0.33) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL9443885 0.77 MEN1 (0.35) ALDH1A1KMT2AMEN1KDM4EHPGD

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-0080942-B1 NOVEL INTERMEDIATES AND PROCESS FOR PREPARING (S)-3-ACYLAMINO-4-SUBSTITUTED-2-AZETIDINONES E.R. Squibb & Sons, Inc. (US) 1986-02-26 EP disclosed
US-4421686-A 4-Norbornyl-sulfonyl azetidinone intermediates and process for preparing (S)-3-acylamino-4-substituted-2-azetidinones E. R. SQUIBB & SONS, INC. (US) 1983-12-20 US disclosed
EP-0080942-A1 Novel intermediates and process for preparing (S)-3-acylamino-4-substituted-2-azetidinones E.R. Squibb & Sons, Inc. (US) 1983-06-08 EP disclosed