SCHEMBL2560029

SCHEMBL2560029

C=CCNC(=O)C(C)Oc1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.49
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2561466 0.85 ALDH1A1 (0.42) HTTALDH1A1NPC1RAB9AHPGD
SCHEMBL29955555 0.84 ALDH1A3 (0.53) ALDH1A3HTTALDH1A1SMN1; SMN2GAA
SCHEMBL2557689 0.83 ALDH1A1 (0.58) ALDH1A3HTTALDH1A1SMN1; SMN2HPGD
SCHEMBL15333466 0.82 ALDH1A3 (0.50) ALDH1A3HTTALDH1A1SMN1; SMN2GAA
SCHEMBL2557395 0.81 ALDH1A3 (0.49) ALDH1A3HTTALDH1A1SMN1; SMN2HPGD
SCHEMBL2563059 0.81 ALDH1A3 (0.49) ALDH1A3HTTALDH1A1SMN1; SMN2NPC1
SCHEMBL15330511 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDPOLBTDP1
SCHEMBL2555033 0.80 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL11400879 0.80 MAPT (0.50) HTTALDH1A1PKMSMN1; SMN2RAB9A
SCHEMBL2561807 0.80 HPGD (0.52) ALDH1A3HTTALDH1A1SMN1; SMN2HPGD

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