SCHEMBL7239606

SCHEMBL7239606

CCC(c1cccs1)N1CCCC(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
F2R P25116 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
SLC6A1 P30531 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4772875 0.81 SLC6A1 (0.48) ALDH1A1KDM4ESLC6A1KMT2A
SCHEMBL8191334 0.77 SMN1; SMN2 (0.48) ALDH1A1ITGB3ITGA2BF2RMAPT
SCHEMBL7239611 0.76 KMT2A (0.56) ALDH1A1KDM4EPTGS1PDE4ASLC6A1
SCHEMBL7364398 0.72 SLC6A1 (0.43) ALDH1A1PTGS1PDE4ASLC6A1
SCHEMBL12471548 0.70 KDM4E (0.38) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19414179 0.70 MAPT (0.52) ATMALDH1A1KDM4EMAPT
SCHEMBL27564553 0.69 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10406250 0.69 NOTUM (0.49) ALDH1A1KDM4EMAPTPKMMEN1
SCHEMBL171033 0.69 KMT2A (0.52) ALDH1A1KDM4EKMT2A
SCHEMBL28770070 0.68 MEN1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A

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-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US claimed
WO-2000071519-A2 IMMUNOPOTENTIATOR AGENTS ELI LILLY AND COMPANY (US) 2000-11-30 WO claimed
US-6664271-B1 Amide, carbamate and uredo derivatives of 3-piperidine-carboxylic acid or ester; protecting against infection by such as escherichia coli and/or actinobacillus pleuropneumoniae ELI LILLY AND COMPANY 2003-12-16 US disclosed
WO-2000071519-A2 IMMUNOPOTENTIATOR AGENTS ELI LILLY AND COMPANY (US) 2000-11-30 WO disclosed