SCHEMBL8437634

SCHEMBL8437634

O=C(O)CCc1ccc(CCCCI)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.59
KEAP1 Q14145 1/20 0.57
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CA1 P00915 1/20 0.50

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
SCHEMBL7827706 0.87 MAPT (0.69) FFAR1KEAP1MAPTRXFP1HDAC1
SCHEMBL11424035 0.85 FFAR1 (0.71) FFAR1KEAP1MAPTRXFP1HDAC1
SCHEMBL7242602 0.84 ALDH1A1 (0.67) FFAR1MAPTRXFP1HDAC1HDAC3
Iocanlidic Acid SCHEMBL27870026 0.84 MAPT (0.61) FFAR1MAPTRXFP1HDAC1HDAC3
SCHEMBL69746 0.82 FFAR1 (0.81) FFAR1KEAP1HDAC1HDAC3MAPK1
SCHEMBL4656973 0.82 MAPT (0.81) FFAR1KEAP1MAPTRXFP1HDAC1
SCHEMBL6926013 0.81 FFAR1 (0.65) FFAR1KEAP1CA1CA2FFAR4
SCHEMBL7065645 0.81 MAPT (0.79) FFAR1KEAP1MAPTRXFP1HDAC1
Hydrochloric Acid SCHEMBL25264643 0.80 FFAR1 (0.77) FFAR1KEAP1HDAC1HDAC3MAPK1
SCHEMBL6285855 0.80 ALDH1A1 (0.72) FFAR1KEAP1MAPTHSD17B10FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942600-A COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL G. D. SEARLE & CO. (US) 1999-08-24 US disclosed