SCHEMBL2563368

SCHEMBL2563368

CC(Oc1ccc2ccccc2c1C=O)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.71
CYP2C9 P11712 3/20 0.71
CYP2C19 P33261 3/20 0.71
MAPT P10636 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
PPARG P37231 4/20 0.49
PPARA Q07869 4/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
KMT2A Q03164 2/20 0.49
ERN1 O75460 1/20 0.47
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 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
SCHEMBL2556427 0.87 MAPT (0.69) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL15330210 0.85 MAPT (0.66) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL3267842 0.83 MAPT (1.00) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL27945004 0.81 KMT2A (0.53) CYP1A2CYP2C9CYP2C19MAPTGAA
SCHEMBL16933412 0.79 PPARG (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL2922977 0.79 PPARG (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL16933413 0.79 PPARG (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL31376342 0.79 PPARG (0.64) CYP1A2CYP2C9CYP2C19L3MBTL1RAB9A
SCHEMBL7825490 0.78 NCEH1 (0.56) CYP1A2CYP2C9CYP2C19MAPTGAA
SCHEMBL11273206 0.77 MAPT (0.71) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed