SCHEMBL11398569

SCHEMBL11398569

N#Cc1ccc(OCC(Br)COc2ccc(C#N)cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.42
▸ MMP2 P08253 3/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ AR P10275 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ ICMT O60725 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL2636175 0.80 ALDH1A1 (0.42) FFAR1ALDH1A1ARKCNH2
SCHEMBL11402702 0.76 FFAR1 (0.35) FFAR1HPGDMAOBARMAPT
SCHEMBL772872 0.75 ALOX15 (0.44) FFAR1ALDH1A1HPGDARKCNH2
SCHEMBL15024950 0.74 PTGDR2 (0.43) FFAR1AR
SCHEMBL944720 0.74 TRPV4 (0.53) FFAR1ALDH1A1HPGDARMAPT
SCHEMBL2037172 0.74 HPGD (0.43) FFAR1ALDH1A1HPGDARKDM4E
SCHEMBL29886939 0.72 FFAR1 (0.40) FFAR1ALDH1A1HPGDARMAPT
SCHEMBL28833261 0.72 FFAR1 (0.40) FFAR1ALDH1A1HPGDARMAPT
SCHEMBL3113533 0.72 S1PR1 (0.40) FFAR1ALDH1A1HPGDARKDM4E
SCHEMBL10730804 0.72 F2 (0.41) FFAR1ALDH1A1HPGDARKDM4E

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-4263223-A Synthesis of 4,4'-dicyano-polyhalo-diphenoxyalkanes LABORATOIRES SEROBIOLOGIQUES S.A. (FR) 1981-04-21 — — US disclosed
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