SCHEMBL8437696

SCHEMBL8437696

O=C(O)c1ccc(/C=C/c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC1 Q13547 3/20 0.44
MAPT P10636 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44

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
SCHEMBL8435184 1.00 ALOX5 (0.48) ALOX5GLATDP1MEN1KMT2A
SCHEMBL8435188 1.00 ALOX5 (0.48) ALOX5GLATDP1MEN1KMT2A
SCHEMBL22380001 0.88 DAO (0.52) MEN1KMT2APOLBRAB9AHDAC1
SCHEMBL17705394 0.86 ALOX5 (0.41) ALOX5MEN1KMT2APOLBRAB9A
SCHEMBL14450974 0.86 GLA (0.52) ALOX5GLATDP1MEN1KMT2A
SCHEMBL17996059 0.85 POLB (0.47) ALOX5GLATDP1MEN1KMT2A
SCHEMBL17996057 0.85 POLB (0.47) ALOX5GLATDP1MEN1KMT2A
SCHEMBL13206646 0.80 RELA (0.50) MEN1KMT2ARAB9AHDAC1MAPT
SCHEMBL19076280 0.80 THRB (0.53) TDP1RAB9AHDAC1MAPTHDAC3
SCHEMBL11320620 0.80 MAOB (0.50) ALOX5GLATDP1MEN1KMT2A

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-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed