SCHEMBL11174673

SCHEMBL11174673

Brc1ccccc1C#CCOCC#Cc1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.38
▸ IDO1 P14902 2/20 0.32
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL8305078 0.78 FFAR1 (0.40) FFAR1IDO1ALDH1A1KDM4ECYP1A2
SCHEMBL29144735 0.77 FFAR1 (0.42) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5175910 0.77 CYP2C19 (0.50) FFAR1IDO1ALDH1A1KDM4ECYP1A2
SCHEMBL30468202 0.77 FFAR1 (0.47) FFAR1IDO1CA12CA1CA2
SCHEMBL2466535 0.77 FFAR1 (0.47) FFAR1IDO1CA12CA1CA2
SCHEMBL7573505 0.75 CA2 (0.38) FFAR1CA12CA1CA2CA7
SCHEMBL15353223 0.73 TLR8 (0.45) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL19302890 0.73 ALDH1A1 (0.47) FFAR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8780975 0.73 FFAR1 (0.42) FFAR1CA12CA1CA2CA9
SCHEMBL28016124 0.72 FFAR1 (0.41) FFAR1IDO1CA1CA2ALDH1A1

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-4382951-A FUNGICIDES SANDOZ LTD. (CH) 1983-05-10 — — US disclosed
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