SCHEMBL14101266

SCHEMBL14101266

CN(C)C(=O)c1ccc(COCCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ TBXAS1 P24557 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL865129 0.88 HSD11B1 (0.58) HSD11B1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL14100861 0.85 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL30406939 0.81 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2NPC1LMNA
SCHEMBL4739829 0.79 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL16242079 0.79 ALDH1A1 (0.55) HSD11B1ALDH1A1HPGDSMN1; SMN2EPHX2
SCHEMBL18106018 0.78 MAOB (0.51) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL18106023 0.78 MAOB (0.51) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL18106021 0.78 MAOB (0.51) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1627925 0.78 CYP4A11 (0.60) ALDH1A1HPGDSMN1; SMN2NPC1CYP3A4
SCHEMBL18106024 0.78 MAOB (0.51) ALDH1A1HPGDSMN1; SMN2LMNAMAPT

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 — — WO disclosed
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