SCHEMBL22357441

SCHEMBL22357441

CN1CCC(c2ccccc2OCCCC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 2/20 0.53
SSTR4 P31391 2/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
S1PR5 Q9H228 5/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
DRD2 P14416 1/20 0.44
RAD52 P43351 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7814370 0.79 CNR2 (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL23228758 0.78 SSTR4 (0.54) SSTR1SSTR4PTGDR2MEN1KMT2A
SCHEMBL7804397 0.78 NPC1 (0.52) PTGDR2MEN1KMT2APOLBLMNA
SCHEMBL7804382 0.78 MEN1 (0.67) PTGDR2MEN1KMT2ALMNA
SCHEMBL26473594 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7804447 0.74 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL7811675 0.73 KMT2A (0.58) PTGDR2MEN1KMT2AALDH1A1LMNA
SCHEMBL8894896 0.73 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL824153 0.73 DRD2 (0.69) MEN1KMT2ADRD2
SCHEMBL8893026 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1S1PR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488028-B1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed