SCHEMBL9810164

SCHEMBL9810164

CCOC(=O)C(CCCNC(=O)OCc1ccccc1)N[C@@H](C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.53
▸ HTT P42858 1/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ CPB1 P15086 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.50
▸ SIRT2 Q8IXJ6 2/20 0.49
▸ SIRT1 Q96EB6 2/20 0.49
▸ ACE P12821 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SLC1A3 P43003 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ TGM2 P21980 1/20 0.47

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
SCHEMBL9810168 1.00 FOLH1 (0.53) FOLH1HTTMMP2MMP9CPB1
SCHEMBL11023043 0.97 FOLH1 (0.58) FOLH1HTTMMP2MMP9CPB1
SCHEMBL11024671 0.97 FOLH1 (0.58) FOLH1HTTMMP2MMP9CPB1
SCHEMBL23901494 0.85 HTT (0.58) FOLH1HTTMMP2MMP9CPB1
SCHEMBL9738061 0.85 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL9738069 0.85 FOLH1 (0.60) FOLH1MMP2MMP9CPB1CPB2
SCHEMBL3369452 0.81 ACE (0.60) ACELMNASMN1; SMN2
SCHEMBL497515 0.81 ACE (0.60) ACELMNASMN1; SMN2
SCHEMBL1221172 0.81 ACE (0.60) ACELMNASMN1; SMN2
SCHEMBL4669921 0.81 ACE (0.60) ACELMNASMN1; 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 5 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-4906635-A Carboxyalkyl dipeptides as antiglaucoma agents SCHERING CORPORATION (US) 1990-03-06 — — 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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