SCHEMBL9530359

SCHEMBL9530359

O=C1CC[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
HPGDS O60760 1/20 0.46
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
NAMPT P43490 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
PARP1 P09874 2/20 0.43
EGFR P00533 1/20 0.42
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 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
SCHEMBL10743630 1.00 POLB (0.62) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2222163 0.86 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2HPGDS
SCHEMBL2222173 0.86 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2HPGDS
SCHEMBL13777929 0.84 POLB (0.64) POLBMEN1KMT2ASMN1; SMN2HPGDS
SCHEMBL10763278 0.81 POLB (0.61) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4999644 0.80 POLB (0.70) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL8236782 0.79 POLB (0.53) POLBMEN1KMT2ASMN1; SMN2HPGDS
SCHEMBL11370753 0.79 POLB (0.47) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11254116 0.79 POLB (0.47) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7624989 0.79 POLB (0.69) POLBMEN1KMT2ASMN1; SMN2HPGDS

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-0210701-B1 PEPTIDO-MIMETIC SUBSTANCES WITH HYPOTENSIVE ACTION POLIFARMA S.p.A. (IT) 1993-03-17 EP disclosed
US-4713368-A Peptido-mimetic substances with hypotensive action ENIRICERCHE S.P.A. (IT) 1987-12-15 US disclosed
EP-0210701-A2 Peptido-mimetic substances with hypotensive action POLIFARMA S.p.A. (IT) 1987-02-04 EP disclosed