SCHEMBL2554928

SCHEMBL2554928

O=CC(C=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.47
PTGS2 P35354 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
FFAR1 O14842 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL28583238 0.87 CYP3A4 (0.43) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL548634 0.85 CYP2D6 (0.48) ALDH1A1MAPK1TAAR1
SCHEMBL5243253 0.82 CYP2D6 (0.46) ALDH1A1MAPK1TAAR1
SCHEMBL13368895 0.81 ACP3 (0.47) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL13061668 0.79 CYP3A4 (0.50) ALDH1A1CYP3A4TAAR1HSD17B10TDP1
SCHEMBL1515909 0.79 ACP3 (0.48) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL3246785 0.77 ACP3 (0.44) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL8591948 0.77 ACP3 (0.48) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL10594958 0.77 PTGS2 (0.53) ACP3PTGS2CHRNB2CHRNA4ALDH1A1
SCHEMBL3791852 0.77 ACP3 (0.44) ACP3PTGS2CHRNB2CHRNA4ALDH1A1

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