SCHEMBL7294141

SCHEMBL7294141

CC(C)[C@@H](C=O)NC(=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ CNR2 P34972 7/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.52
▸ PSMB8 P28062 1/20 0.52
▸ PSMB5 P28074 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ MAPT P10636 1/20 0.50

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
SCHEMBL5567744 1.00 POLB (0.56) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL6439569 1.00 POLB (0.56) POLBCNR2MEN1CYP1A2KMT2A
Sulfurous Acid SCHEMBL5567229 0.94 CNR2 (0.54) POLBCNR2MEN1CYP1A2KMT2A
Sulfurous Acid SCHEMBL28752565 0.94 CNR2 (0.54) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL7300117 0.84 HDAC2 (0.51) CNR2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL3024846 0.83 POLB (0.59) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL3024849 0.83 POLB (0.59) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL19099236 0.80 POLB (0.63) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL14701618 0.80 POLB (0.63) POLBCNR2MEN1CYP1A2KMT2A
SCHEMBL7674546 0.79 POLB (0.67) POLBCNR2MEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 — — US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 — — EP disclosed
CN-1089606-A Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1994-07-20 — — CN disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 — — EP disclosed
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