SCHEMBL3235280

SCHEMBL3235280

CCC(Cc1ccc(OC)cc1)Cc1cccc(OCF)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.47
▸ BCHE P06276 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ MAOB P27338 7/20 0.43
▸ SLC2A1 P11166 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 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
SCHEMBL1219106 0.75 SLC6A4 (0.59) TAAR1SLC6A4ALDH1A1SMN1; SMN2TP53
SCHEMBL28978069 0.74 TAAR1 (0.63) TAAR1MAOB
SCHEMBL3235287 0.73 LDHA (0.44) SLC6A4KDM4EALDH1A1HTTNPC1
SCHEMBL27561802 0.73 TAAR1 (0.54) TAAR1SLC6A4MAOBSLC2A1KDM4E
SCHEMBL10289884 0.72 KDM4E (0.53) BCHEMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL14402689 0.70 CETP (0.41) TAAR1TDP1
SCHEMBL11775034 0.70 LTA4H (0.67) SLC6A4ALDH1A1HTT
SCHEMBL3179539 0.70 TAAR1 (0.62) TAAR1
SCHEMBL16235822 0.70 SLC6A4 (0.53) TAAR1SLC6A4MAOB
SCHEMBL345525 0.70 LDHA (0.53) SLC6A4

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
WO-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 — — WO disclosed
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