SCHEMBL9810178

SCHEMBL9810178

CCOC(=O)C(CCCN)N[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.43
▸ CPB2 Q96IY4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ NOD1 Q9Y239 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CAD P27708 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36

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
SCHEMBL9810181 1.00 ACE (0.43) ACECPB2CYP1A2NOD1KMT2A
SCHEMBL11025288 0.95 CPB2 (0.48) ACECPB2CYP1A2NOD1KMT2A
SCHEMBL11025294 0.95 CPB2 (0.48) ACECPB2CYP1A2NOD1KMT2A
SCHEMBL7271367 0.84 ACE (0.57) ACENOD1KMT2A
SCHEMBL9773222 0.84 ACE (0.57) ACENOD1KMT2A
SCHEMBL7271357 0.84 ACE (0.57) ACENOD1KMT2A
SCHEMBL9773243 0.84 ACE (0.57) ACENOD1KMT2A
SCHEMBL9702204 0.84 ACE (0.57) ACENOD1KMT2A
SCHEMBL1992431 0.83 ACE (0.49) ACEKMT2APOLBLMNAL3MBTL1
SCHEMBL13482629 0.83 ACE (0.49) ACEKMT2APOLBLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017567-A Steroid antiinflammatory SCHERING CORPORATION (US) 1991-05-21 — — US disclosed
US-4778795-A Carboxyalkyl dipeptides as antiglaucoma agents SCHERING CORPORATION (US) 1988-10-18 — — US disclosed
US-4616012-A BENZOTHIADIZINYL AND QUINAZOLINYL DERIVATIVES SCHERING CORPORATION (US) 1986-10-07 — — US disclosed
US-4559340-A DIURETICS; GLAUCOMA SCHERING CORPORATION (US) 1985-12-17 — — US disclosed
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