SCHEMBL13299419

SCHEMBL13299419

O=C(c1ccc(Cl)cc1)c1ccc(OCCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.60
▸ HPGD P15428 4/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PPARA Q07869 2/20 0.51
▸ LSS P48449 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ ELANE P08246 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SRD5A2 P31213 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ FABP2 P12104 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ SLC22A12 Q96S37 1/20 0.47
▸ MAOA P21397 1/20 0.47

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
SCHEMBL11554967 0.91 GAA (0.72) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL10592808 0.91 GAA (0.70) GAAKDM4ELMNAPPARALSS
SCHEMBL9482870 0.88 HPGD (0.58) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL4383977 0.87 DRD4 (0.52) HPGDALDH1A1HTTLMNAHRH3
SCHEMBL21889796 0.86 GAA (0.69) GAALMNAPPARALSSHRH3
SCHEMBL5396195 0.84 GAA (0.83) GAAALDH1A1HTTKDM4ELMNA
SCHEMBL29102525 0.84 GAA (0.66) GAAHTTPPARALSSHRH3
SCHEMBL21567534 0.83 NPC1 (0.62) GAAHPGDALDH1A1LMNAPPARA
SCHEMBL11437024 0.83 HPGD (0.56) GAAHPGDALDH1A1HTTKDM4E
SCHEMBL21991829 0.81 PPARA (0.62) GAAHPGDALDH1A1HTTKDM4E

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-2010063612-A1 SILSESQUIOXANE PHOTOINITIATORS BASF SE (DE) 2010-06-10 — — WO disclosed
Send feedback