SCHEMBL7288603

SCHEMBL7288603

CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)N(CC1(O)CCCCC1)C(=O)[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CTSD P07339 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MME P08473 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7282372 0.89 REN (0.43) —
SCHEMBL7278750 0.86 CYP2C19 (0.36) ALDH1A1MMP2MMP9MMP8
SCHEMBL7278600 0.83 REN (0.41) HPGDALDH1A1MMP2MMP9MMP8
SCHEMBL7281639 0.81 REN (0.45) KMT2AMEN1HPGDCTSDSMN1; SMN2
SCHEMBL7281155 0.81 REN (0.45) KMT2AMEN1HPGDCTSDSMN1; SMN2
SCHEMBL7288244 0.81 REN (0.35) MMP2
SCHEMBL7281421 0.80 REN (0.38) MMP2MMP9
SCHEMBL7281084 0.80 REN (0.33) MMP2
SCHEMBL7280966 0.79 REN (0.35) MMP2
SCHEMBL7288292 0.79 REN (0.43) KMT2AMEN1HPGDCTSDSMN1; SMN2

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-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 — — EP claimed
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