SCHEMBL28852306

SCHEMBL28852306

Cc1cc(C)cc(OC(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54
PARP10 Q53GL7 1/20 0.53
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
NPBWR1 P48145 1/20 0.49
NSD2 O96028 1/20 0.49
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
MDM2 Q00987 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9339411 0.96 KMT2A (0.58) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL29004329 0.90 KMT2A (0.61) KMT2AMAPTMEN1TDP1GAA
SCHEMBL17376972 0.90 MAPT (0.53) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL7368072 0.90 TPMT (0.52) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL27645399 0.88 KMT2A (0.50) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL29004331 0.87 RXRA (0.56) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL27664158 0.86 KMT2A (0.61) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL2755026 0.86 KMT2A (0.68) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL28065839 0.85 TDP1 (0.65) KMT2AMAPTMEN1TDP1ALDH1A1
SCHEMBL5435205 0.85 MAPT (0.63) KMT2AMAPTMEN1TDP1ALDH1A1

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
CN-105189572-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2017-10-17 CN disclosed