SCHEMBL2561007

SCHEMBL2561007

N#CCc1ccccc1CCC=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
FFAR1 O14842 4/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TSPO P30536 1/20 0.33
DRD3 P35462 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KMT2A Q03164 2/20 0.30
CFTR P13569 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
GRIA1 P42261 1/20 0.30
CACNG8 Q8WXS5 1/20 0.30
ATP4A P20648 1/20 0.30
ATP4B P51164 1/20 0.30

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
SCHEMBL28607303 0.83 ADH1B (0.36) ALDH1A1KMT2AMEN1
SCHEMBL29809738 0.78 ALDH1A1 (0.56) ALDH1A1HPGDFFAR1FFAR4CYP1A1
SCHEMBL1945874 0.78 ALDH1A1 (0.56) ALDH1A1HPGDFFAR1FFAR4CYP1A1
SCHEMBL20243770 0.77 CYP19A1 (0.40) ALDH1A1HPGDFFAR1MAPT
SCHEMBL30669699 0.77 CYP19A1 (0.40) ALDH1A1HPGDFFAR1MAPT
SCHEMBL910692 0.75 GABRA1 (0.39) ALDH1A1MAPT
SCHEMBL7781555 0.74 ALDH1A1 (0.44) ALDH1A1HPGDFFAR1FFAR4DRD3
SCHEMBL1685074 0.74 CYP4F2 (0.44) ALDH1A1HPGDFFAR1
SCHEMBL11611663 0.74 PNMT (0.41)
SCHEMBL6205406 0.74 ALDH1A1 (0.44) ALDH1A1HPGDFFAR1FFAR4TSPO

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