SCHEMBL7412854

SCHEMBL7412854

CCC(N)(C(=O)O)c1ccc(C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP1A2 P05177 1/20 0.63
EPHX2 P34913 1/20 0.41
KIF11 P52732 3/20 0.41
CTBP2 P56545 1/20 0.41
CYP2A6 P11509 1/20 0.40
MLYCD O95822 1/20 0.39
CYP19A1 P11511 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
GSK3B P49841 1/20 0.39
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PTPN5 P54829 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 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
SCHEMBL20899694 0.84 MEN1 (0.44) MEN1KMT2ACYP1A2EPHX2KIF11
SCHEMBL20899691 0.84 MEN1 (0.44) MEN1KMT2ACYP1A2EPHX2KIF11
Water SCHEMBL8329268 0.80 CYP1A2 (0.68) MEN1KMT2ACYP1A2KIF11ALDH1A1
SCHEMBL7868519 0.79 EPHX2 (0.43) MEN1KMT2AEPHX2KIF11CTBP2
SCHEMBL9259276 0.79 GSK3B (0.44) MEN1KMT2AEPHX2KIF11CTBP2
SCHEMBL27338628 0.79 MEN1 (0.71) MEN1KMT2ACYP1A2KIF11ALDH1A1
SCHEMBL305912 0.78 CYP1A2 (0.70) MEN1KMT2ACYP1A2KIF11ALDH1A1
SCHEMBL2089243 0.78 CYP1A2 (0.70) MEN1KMT2ACYP1A2KIF11ALDH1A1
SCHEMBL2089245 0.78 CYP1A2 (0.70) MEN1KMT2ACYP1A2KIF11ALDH1A1
SCHEMBL21767932 0.77 MEN1 (0.69) MEN1KMT2ACYP1A2KIF11CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
EP-0195817-B1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1989-10-18 EP disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed
US-4634698-A TOPICAL HYPOTENSIVES SCHERING CORPORATION (US) 1987-01-06 US disclosed
EP-0195817-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SCHERING CORP (US) 1986-10-01 EP disclosed
WO-1986001803-A1 CARBOXYALKYLDIPEPTIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-03-27 WO disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 US disclosed