SCHEMBL9533952

SCHEMBL9533952

O=C1CCC(=O)N1C(C(=O)Cl)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
SRC P12931 1/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL10687806 0.73 KMT2A (0.44) ALDH1A1KMT2ARAB9ASMN1; SMN2MAPK1
SCHEMBL10692329 0.66 KMT2A (0.47) ALDH1A1KMT2ARAB9ASMN1; SMN2MAPK1
SCHEMBL669626 0.65 KMT2A (0.54) ALDH1A1KMT2ARAB9AHPGD
SCHEMBL669851 0.65 CES1 (0.61) CES1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL26809469 0.65 HTT (0.54) ALDH1A1KMT2ASMN1; SMN2MAPK1CA12
SCHEMBL5545766 0.65 CYP1A2 (0.41) ALDH1A1KMT2ARAB9ASMN1; SMN2CA12
SCHEMBL28274371 0.63 CES1 (0.48) CES1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL132067 0.63 CES1 (0.58) CES1ALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL11183801 0.63 CES1 (0.58) CES1ALDH1A1KMT2ASMN1; SMN2MAPK1
Water SCHEMBL2479676 0.63 CES1 (0.58) CES1ALDH1A1KMT2ASMN1; SMN2MAPK1

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-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed