SCHEMBL7739092

SCHEMBL7739092

CCCCCCCCC#Cc1ccc(C(C)=O)o1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
RECQL P46063 1/20 0.52
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MAPT P10636 1/20 0.49
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
KCNH2 Q12809 1/20 0.41
TNK2 Q07912 1/20 0.40
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
GPR84 Q9NQS5 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
SCHEMBL7733786 0.88 POLB (0.55) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL10669748 0.75 KCNH2 (0.42) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL10669167 0.74 POLB (0.42) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL10665061 0.74 POLB (0.42) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL23752580 0.71 POLB (0.64) POLBRECQLMAPTTNK2
SCHEMBL4088517 0.71 MMP2 (0.68) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL7738234 0.71 MMP2 (0.68) FFAR1FFAR4MMP2MMP12KCNH2
SCHEMBL10668219 0.71 MAPT (0.42) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL8365120 0.70 EPHX2 (0.52) MAPT
SCHEMBL10422627 0.70 EPHX2 (0.52) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed