SCHEMBL8704698

SCHEMBL8704698

COc1cc(C)cc(OC)c1NC(=O)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HPGD P15428 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ MTNR1B P49286 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL27471038 0.83 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDGAAHTT
SCHEMBL9037517 0.80 LMNA (0.62) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10683659 0.75 HSD17B10 (0.47) ALDH1A1SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL11636916 0.73 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2HPGDGAAMTNR1B
SCHEMBL6691251 0.73 ACHE (0.47) ALDH1A1SMN1; SMN2HPGDGAAHTT
SCHEMBL20411799 0.73 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL9037525 0.73 MEN1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL9037210 0.72 GAA (0.54) ALDH1A1SMN1; SMN2HPGDGAAKMT2A
SCHEMBL13129135 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDGAAPTPN1
SCHEMBL11263218 0.71 CYP3A4 (0.49) ALDH1A1HPGDKMT2AMAPTTP53

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-5731340-A DIETETICS; ANTIDIABETIC AGENTS SANOFI (FR) 1998-03-24 — — US disclosed
EP-0697403-A1 Derivatives of glycinamides as cholecystokinin receptor agonists SANOFI (FR) 1996-02-21 — — EP disclosed
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