SCHEMBL5746891

SCHEMBL5746891

CCOC(=O)c1c(-c2ccccc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MAPK8 P45983 3/20 0.44
LIPG Q9Y5X9 3/20 0.40
PLA2G2A P14555 3/20 0.40
MAPT P10636 2/20 0.38
LPL P06858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
UCHL1 P09936 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL6090931 0.82 KMT2A (0.58) KMT2AMAPK8PLA2G2AMAPTSMN1; SMN2
SCHEMBL6090219 0.79 KMT2A (0.54) KMT2AMAPK8PLA2G2AMAPTSMN1; SMN2
SCHEMBL5776548 0.72 ALDH1A1 (0.48) KMT2ALIPGMAPTLPLSMN1; SMN2
SCHEMBL11263827 0.70 KMT2A (0.60) KMT2APLA2G2ASMN1; SMN2
SCHEMBL4886339 0.70 PLA2G2A (0.55) KMT2AMAPK8PLA2G2AMAPTSMN1; SMN2
SCHEMBL11729659 0.69 KMT2A (0.56) KMT2AMAPK8MAPTSMN1; SMN2TSHR
SCHEMBL4893680 0.69 AR (0.60) KMT2APLA2G2AMAPTSMN1; SMN2AR
SCHEMBL2799600 0.68 LPL (0.56) LIPGPLA2G2ALPL
SCHEMBL17206150 0.68 MAPT (0.45) KMT2ALIPGMAPTLPLSMN1; SMN2
SCHEMBL5739485 0.68 ACLY (0.53) KMT2AMAPK8MAPTTSHRLMNA

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
EP-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 WO disclosed