SCHEMBL2556953

SCHEMBL2556953

Cc1ccc(C(=O)CC=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ALDH1A1 P00352 7/20 0.58
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
AGTR1 P30556 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL2756245 0.84 TSHR (0.70) TSHRALDH1A1CES2CES1MAPT
SCHEMBL7047805 0.83 TSHR (0.68) TSHRALDH1A1CES2CES1MAPT
SCHEMBL15505486 0.82 TSHR (0.67) TSHRALDH1A1CES2CES1MAPT
SCHEMBL10079161 0.81 TSHR (0.66) TSHRALDH1A1CES2CES1MAPT
SCHEMBL2054452 0.81 TSHR (0.66) TSHRALDH1A1CES2CES1MAPT
SCHEMBL8623719 0.81 TSHR (0.54) TSHRALDH1A1CES2CES1MAPT
SCHEMBL10956729 0.80 TSHR (0.64) TSHRALDH1A1CES2CES1MAPT
SCHEMBL8519466 0.80 TSHR (0.64) TSHRALDH1A1CES2CES1MAPT
SCHEMBL17303445 0.79 TSHR (0.77) TSHRALDH1A1CES2CES1MAPT
SCHEMBL11396203 0.79 MEN1 (0.51) TSHRALDH1A1CES2CES1MAPT

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