SCHEMBL3235287

SCHEMBL3235287

CCC(Cc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.44
▸ SLC6A4 P31645 1/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3262036 0.90 ADRB3 (0.43) LDHA
SCHEMBL1219106 0.79 SLC6A4 (0.59) LDHASLC6A4ALDH1A1CYP1A2CYP2D6
SCHEMBL11218889 0.78 ALOX15 (0.46) LDHAHTTKDM4EMITFALDH1A1
SCHEMBL13003651 0.78 ALOX15 (0.46) LDHAHTTKDM4EMITFALDH1A1
SCHEMBL3264693 0.78 PPARD (0.51) TAS2R14HTTPPARDPPARANPC1
SCHEMBL8244070 0.76 ALOX15 (0.50) LDHAHTTKDM4EMITFALDH1A1
SCHEMBL2759522 0.73 HTT (0.51) L3MBTL1HTTKDM4EMITFALDH1A1
SCHEMBL3235280 0.73 TAAR1 (0.47) SLC6A4HTTKDM4EALDH1A1NPC1
SCHEMBL10839564 0.73 SLC6A4 (0.53) SLC6A4
SCHEMBL20061670 0.73 ALOX15 (0.60) LDHAHTTKDM4EMITFALDH1A1

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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