SCHEMBL7733786

SCHEMBL7733786

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
RECQL P46063 1/20 0.55
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.49
MMP2 P08253 1/20 0.46
MMP12 P39900 1/20 0.46
PTPN7 P35236 3/20 0.42
HMGCR P04035 1/20 0.42
TNK2 Q07912 1/20 0.42

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
SCHEMBL7739092 0.88 POLB (0.52) POLBRECQLFFAR1FFAR4MAPT
SCHEMBL10669167 0.77 POLB (0.42) POLBRECQLFFAR1FFAR4KMT2A
SCHEMBL10665061 0.77 POLB (0.42) POLBRECQLFFAR1FFAR4KMT2A
SCHEMBL10669748 0.75 KCNH2 (0.42) POLBRECQLFFAR1FFAR4TDP1
SCHEMBL10692511 0.74 TDP1 (0.43) POLBRECQLTDP1
SCHEMBL2637097 0.73 ACACB (0.52) POLBMEN1KMT2ATDP1
SCHEMBL14822942 0.72 POLB (0.56) POLBRECQLFFAR1FFAR4TDP1
SCHEMBL25456552 0.72 FFAR1 (0.74) FFAR1FFAR4MMP2MMP12PTPN7
SCHEMBL23752580 0.71 POLB (0.64) POLBRECQLMEN1KMT2ATDP1
SCHEMBL30143434 0.71 MMP2 (0.72) FFAR1FFAR4MEN1KMT2AMAPT

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