SCHEMBL11718676

SCHEMBL11718676

CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1C(=O)OCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.49
▸ CYP3A4 P08684 5/20 0.49
▸ PPARA Q07869 5/20 0.49
▸ TSHR P16473 3/20 0.49
▸ ABCB11 O95342 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ PMP22 Q01453 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP2C19 P33261 5/20 0.40
▸ CYP2C9 P11712 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 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
SCHEMBL11718001 0.80 PPARA (0.53) CYP1A2CYP3A4PPARATSHRABCB11
SCHEMBL11641659 0.78 PPARA (0.72) CYP1A2CYP3A4PPARATSHRABCB11
Nicofibrate SCHEMBL49182 0.71 CYP1A2 (0.58) CYP1A2CYP3A4PPARATSHRABCB11
Etofibrate SCHEMBL29801484 0.71 L3MBTL1 (0.55) CYP1A2CYP3A4PPARATSHRABCB11
Etofibrate SCHEMBL8168409 0.71 L3MBTL1 (0.55) CYP1A2CYP3A4PPARATSHRABCB11
Etofibrate SCHEMBL3122 0.71 L3MBTL1 (0.55) CYP1A2CYP3A4PPARATSHRABCB11
SCHEMBL3090302 0.70 PPARA (0.53) CYP1A2CYP3A4PPARATSHRABCB11
Etofibrate SCHEMBL1649349 0.70 L3MBTL1 (0.54) CYP1A2CYP3A4PPARATSHRABCB11
SCHEMBL11029490 0.70 PPARA (0.51) CYP1A2CYP3A4PPARATSHRABCB11
Ronifibrate SCHEMBL48852 0.69 L3MBTL1 (0.59) CYP1A2CYP3A4PPARATSHRABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4017502-A Process for purifying the mixed ester, ethylene glycol 1-(2-p-chlorophenoxy)-2-methylpropionate nicotinate ALTER, S.A. (ES) 1977-04-12 — — US claimed
US-4017502-A Process for purifying the mixed ester, ethylene glycol 1-(2-p-chlorophenoxy)-2-methylpropionate nicotinate ALTER, S.A. (ES) 1977-04-12 — — US disclosed
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