SCHEMBL2554840

SCHEMBL2554840

CC(C)CCNC(=O)CN1CCCC(C=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
PSMB5 P28074 2/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2555957 0.88 HPGD (0.41) ALDH1A1HPGDGAATDP1SIGMAR1
SCHEMBL15330401 0.86 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2TDP1SIGMAR1
SCHEMBL2560224 0.85 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2TDP1SIGMAR1
SCHEMBL2555452 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAARAB9ATDP1
SCHEMBL29952645 0.84 SIGMAR1 (0.43) ALDH1A1HPGDGAATDP1SIGMAR1
SCHEMBL2558609 0.83 CHRM5 (0.49) ALDH1A1HPGDSMN1; SMN2GAATDP1
SCHEMBL27711029 0.83 HPGD (0.43) ALDH1A1HPGDTDP1SIGMAR1L3MBTL1
SCHEMBL2555776 0.83 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10SIGMAR1TSHR
SCHEMBL15331882 0.83 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2GAATDP1
SCHEMBL2558448 0.83 KMT2A (0.38) ALDH1A1HPGDSMN1; SMN2GAATDP1

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