SCHEMBL10512331

SCHEMBL10512331

CC[C@H](C)[C@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACE P12821 11/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ACE2 Q9BYF1 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PREP P48147 2/20 0.39
▸ CMA1 P23946 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
SCHEMBL10512325 1.00 KMT2A (0.48) KMT2AL3MBTL1ACELMNAACE2
SCHEMBL10511237 0.93 CMA1 (0.45) KMT2AACELMNAACE2CMA1
SCHEMBL10511252 0.93 CMA1 (0.45) KMT2AACELMNAACE2CMA1
SCHEMBL8331221 0.83 ACE (0.60) KMT2AL3MBTL1ACELMNAACE2
SCHEMBL20484652 0.83 ACE (0.60) KMT2AL3MBTL1ACELMNAACE2
SCHEMBL8331218 0.83 ACE (0.60) KMT2AL3MBTL1ACELMNAACE2
SCHEMBL7274015 0.83 ACE (0.60) KMT2AL3MBTL1ACELMNAACE2
SCHEMBL5206341 0.83 PIN1 (0.38) KMT2ALMNACYP3A4CYP2D6CYP2C9
SCHEMBL22804056 0.82 CYP2C9 (0.47) KMT2AACELMNAACE2CYP3A4
SCHEMBL30122483 0.82 CYP2C9 (0.47) KMT2AACELMNAACE2CYP3A4

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-0205209-B1 DECAPEPTIDES HAVING HYPOTENSIVE ACTION AND PROCESS FOR THEIR PREPARATION ENIRICERCHE S.p.A. (IT) 1989-11-29 — — EP disclosed
US-4810779-A Decapeptides having hypotensive action and process for their preparation ENICHEM ELASTOMERI S.P.A. (IT) 1989-03-07 — — US disclosed
EP-0205209-A2 Decapeptides having hypotensive action and process for their preparation ENIRICERCHE S.p.A. (IT) 1986-12-17 — — EP disclosed
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