SCHEMBL9115089

SCHEMBL9115089

COc1cc(O)c(C(=O)CCCCCCBr)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.59
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PAK1 Q13153 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC1 Q13547 1/20 0.43
HPGD P15428 2/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL9116393 1.00 HMGCR (0.59) HMGCRHTTKMT2AMEN1PAK1
SCHEMBL9117235 1.00 HMGCR (0.59) HMGCRHTTKMT2AMEN1PAK1
SCHEMBL1441269 1.00 HMGCR (0.59) HMGCRHTTKMT2AMEN1PAK1
SCHEMBL9116037 0.98 HMGCR (0.61) HMGCRHTTKMT2AMEN1PAK1
SCHEMBL1441802 0.88 KMT2A (0.49) HMGCRKMT2AMEN1HDAC8HDAC1
SCHEMBL27200200 0.85 CTNNB1 (0.43) HMGCRHTTKMT2AHDAC8HDAC1
SCHEMBL9506703 0.84 HDAC8 (0.42) HMGCRHTTKMT2AHDAC8HDAC1
SCHEMBL9972449 0.80 HTT (0.44) HTTKMT2AMEN1HPGDRECQL
SCHEMBL1442018 0.79 NPC1 (0.56) HTTKMT2AMEN1HDAC8HDAC1
SCHEMBL9116063 0.79 NPC1 (0.57) HTTKMT2AMEN1HDAC8HDAC1

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-1995025731-A1 NOVEL 3-(φ-(4-BENZOYLPIPERIDINO)ALKYL)-4H-BENZOPYRAN-4-ONES, PREPARATION AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1995-09-28 WO disclosed