SCHEMBL7294571

SCHEMBL7294571

CCCCCC([C]=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
CNR2 P34972 1/20 0.45
MMP2 P08253 14/20 0.44
MMP1 P03956 9/20 0.44
MMP3 P08254 9/20 0.44
MMP7 P09237 4/20 0.41
BIRC2 Q13490 1/20 0.41

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
SCHEMBL7300322 0.95 CNR2 (0.44) CSNK1ECNR2MMP2MMP1
SCHEMBL11297959 0.87 HDAC3 (0.45) CSNK1E
SCHEMBL10349571 0.84 SIGMAR1 (0.44)
SCHEMBL7279390 0.82 SIGMAR1 (0.42)
SCHEMBL9542370 0.81 HTR2A (0.46) MMP2
SCHEMBL7320079 0.80 TRPA1 (0.46)
SCHEMBL5935806 0.79 CYP1A2 (0.43) CNR2MMP2MMP3
SCHEMBL1697450 0.79 CYP1A2 (0.48)
SCHEMBL30032419 0.79 CSNK1E (0.47) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL7318322 0.79 TAAR1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0327877-A2 Peptide-renininhibitors MERCK PATENT GmbH (DE) 1989-08-16 EP disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0249096-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed