SCHEMBL8991280

SCHEMBL8991280

C=C(CN1CCC1=O)NC(=O)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 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
SCHEMBL10903296 0.73 KMT2A (0.67) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL6186553 0.71 KMT2A (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3623600 0.70 KMT2A (0.62) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL5696647 0.69 RAB9A (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL10964144 0.67 KMT2A (0.57) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL9344656 0.67 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10414788 0.67 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL3498895 0.66 LMNA (0.78) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL31503975 0.66 LMNA (0.78) ALDH1A1NPC1RAB9AKMT2AGAA
SCHEMBL23182750 0.66 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AHTTKMT2AGAA

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-0419215-B1 Process for preparing 4-substituted azetidinones LILLY CO ELI (US) 1996-07-24 EP disclosed
US-5106475-A Alkylating, deprotecting, electrolytic reduction; intermediate for beta-lactam antibiotics ELI LILLY AND COMPANY (US) 1992-04-21 US disclosed
EP-0419215-A2 Process for preparing 4-substituted azetidinones ELI LILLY AND COMPANY (US) 1991-03-27 EP disclosed