SCHEMBL8934483

SCHEMBL8934483

COC(=O)C(C)(C)CCCOc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.61
MAOB P27338 3/20 0.58
MAOA P21397 2/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
MAPT P10636 3/20 0.54
ALDH2 P05091 2/20 0.54
TP53 P04637 1/20 0.54
NPC1 O15118 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL8934537 0.83 CA12 (0.62) MAOBMAOARAB9APOLBKDM4E
SCHEMBL29270309 0.82 MAOA (0.65) ARMAOBMAOAKMT2AMEN1
SCHEMBL13701233 0.82 MAOB (0.61) ARMAOBMAOAKMT2AMEN1
SCHEMBL14680977 0.81 AR (0.59) ARMAOBMAOAKMT2AMEN1
SCHEMBL10459353 0.80 CA12 (0.58) MAOBMAOARAB9APOLBKDM4E
SCHEMBL6591353 0.80 MAOB (0.70) ARMAOBMAOAKMT2AMEN1
SCHEMBL15763768 0.80 MAOB (0.70) ARMAOBMAOAKMT2AMEN1
SCHEMBL10063475 0.79 MAOB (0.74) ARMAOBMAOAKMT2AMEN1
SCHEMBL29677221 0.79 KMT2A (0.66) ARMAOBMAOAKMT2AMEN1
SCHEMBL9204774 0.79 KMT2A (0.66) ARMAOBMAOAKMT2AMEN1

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed