SCHEMBL29958306

SCHEMBL29958306

CCc1ccc(-c2[nH]c3cc(C)cc(C)c3c2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.38
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
GPR17 Q13304 1/20 0.33

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
SCHEMBL29956203 0.88 ERN1 (0.42) ERN1CTSVCTSLKDM4EPOLB
SCHEMBL29955999 0.84 TNKS2 (0.40) ERN1KDM4EPOLBMAPTALDH1A1
SCHEMBL15331116 0.84 ERN1 (0.40) ERN1SMN1; SMN2
SCHEMBL2555909 0.82 ERN1 (0.38) ERN1KDM4EPOLBMAPTALDH1A1
SCHEMBL29954488 0.80 SMN1; SMN2 (0.44) MAPTKMT2ANPC1ALDH1A1RAB9A
SCHEMBL15331877 0.79 ERN1 (0.38) ERN1KDM4EPOLBMAPTGRIN2D
SCHEMBL29951627 0.79 MAPT (0.38) ERN1CTSVCTSLMAPTKMT2A
SCHEMBL29952426 0.78 LMNA (0.40) ERN1KDM4EPOLBMAPTKMT2A
SCHEMBL29951490 0.78 PARP1 (0.43) CTSVCTSLGPR17PARP1
SCHEMBL15332851 0.78 ERN1 (0.38) ERN1KDM4EPOLBMAPTKMT2A

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 1 patent. 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