SCHEMBL15329830

SCHEMBL15329830

CC(=O)c1cccc(OC(C)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
CYP1A2 P05177 2/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
MAOA P21397 3/20 0.47
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8088796 0.87 GAA (0.50) MAOBCYP1A2GAACYP2C9PKM
Bakeprofen SCHEMBL2107798 0.85 PTGS1 (0.57) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL104194 0.84 KMT2A (0.59) MAOBGAAKMT2AMEN1NPC1
SCHEMBL320845 0.83 TSHR (0.52) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL2560298 0.83 MAOB (0.51) MAOBCYP1A2KMT2AMEN1NPC1
SCHEMBL321520 0.83 TSHR (0.52) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL5231369 0.82 KMT2A (0.54) MAOBCYP1A2GAAKMT2AMEN1
SCHEMBL7117710 0.82 PRSS1 (0.58)
SCHEMBL10989419 0.81 KMT2A (0.53) MAOBCYP1A2GAAKMT2AMEN1
SCHEMBL5790248 0.80 GAA (0.62) MAOBCYP1A2GAACYP2C9PKM

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 5 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