SCHEMBL27823826

SCHEMBL27823826

CCCCC(C)Oc1ccc(C)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.44
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ MTNR1A P48039 3/20 0.37
▸ MTNR1B P49286 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28195386 0.96 ALDH1A1 (0.43) GPR88PPARGPPARAALDH1A1KDM4E
SCHEMBL28885400 0.82 ALDH1A1 (0.51) GPR88PPARGPPARAALDH1A1SMN1; SMN2
SCHEMBL13162403 0.81 MAOA (0.53) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL28196047 0.80 ABL1 (0.35) KDM4EHPGDL3MBTL1CYP1A2CYP2C19
SCHEMBL28365855 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDCYP1A2CYP2C19
SCHEMBL13162398 0.78 MAOA (0.59) MAOAMAOB
SCHEMBL13162399 0.77 MAOA (0.49) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL27139421 0.76 PLA2G2A (0.48) ALDH1A1KDM4EHPGDL3MBTL1SMN1; SMN2
SCHEMBL29938041 0.75 MAPT (0.48) ALDH1A1KDM4EL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL2325264 0.75 MAPT (0.48) ALDH1A1KDM4EL3MBTL1SMN1; SMN2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981035-B Salts of triazoles as PAR1 inhibitors, their preparation and their use as medicaments SANOFI AVENTIS 2013-08-28 — — CN disclosed
CN-101981034-B Triazolopyridazines as PAR1 inhibitors, their preparation and their use for producing medicaments SANOFI AVENTIS 2013-08-14 — — CN disclosed
CN-101981034-A Triazolopyridazines as PAR1 inhibitors, their preparation and their use as medicaments SANOFI AVENTIS 2011-02-23 — — CN disclosed
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