SCHEMBL9503704

SCHEMBL9503704

CCC(CC)C(=O)NC(Cc1cccnc1)(C(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
PKM P14618 1/20 0.64
FDPS P14324 3/20 0.47
NAPRT Q6XQN6 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RECQL P46063 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.42
BTN3A1 O00481 1/20 0.42
PDE3A Q14432 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8528161 0.85 ALDH1A1 (0.48) KMT2APKMCYP1A2CYP3A4CYP2C9
SCHEMBL6191319 0.82 FDPS (0.52) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL30801043 0.82 FDPS (0.52) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL10594354 0.78 KMT2A (1.00) KMT2APKMCYP1A2CYP3A4CYP2C9
SCHEMBL8421523 0.78 KMT2A (0.39) KMT2APKMRECQLLMNAHTT
SCHEMBL10657871 0.74 ALDH1A1 (0.67) KMT2APKMFDPSNAPRTL3MBTL1
SCHEMBL8954953 0.74 FOLH1 (0.43) KMT2APKMLMNA
SCHEMBL10657868 0.74 ALDH1A1 (0.67) KMT2APKMFDPSNAPRTL3MBTL1
SCHEMBL10657875 0.74 ALDH1A1 (0.67) KMT2APKMFDPSNAPRTL3MBTL1
SCHEMBL8426514 0.73 ALDH1A1 (0.46) KMT2ACYP1A2CYP2C9CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299402-B1 LHRH ANTAGONISTS, THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF ASTA Medica Aktiengesellschaft (DE) 1993-06-09 EP disclosed
EP-0299402-A2 LHRH antagonists, their manufacture and pharmaceutical compositions thereof ASTA Medica Aktiengesellschaft (DE) 1989-01-18 EP disclosed