SCHEMBL29957067

SCHEMBL29957067

Cc1ccc2[nH]c(C3CC3)c(C=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.45
RECQL P46063 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
CASP6 P55212 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL29957489 0.93 SIRT1 (0.46) SIRT1RECQLSIRT2ALDH1A1KDM4E
SCHEMBL29957448 0.82 CYP2D6 (0.42) SIRT1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL3223692 0.81 ALDH1A1 (0.50) SIRT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29957756 0.81 ALDH1A1 (0.50) SIRT1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15330972 0.81 KIF11 (0.44) MAPTALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL15332502 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTGAAALOX15
SCHEMBL29956270 0.78 KDM4E (0.44) KDM4EMEN1KMT2A
SCHEMBL29953259 0.78 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7254612 0.78 AHR (0.43) SIRT1SIRT2ALDH1A1HPGDHSD17B10
SCHEMBL1428978 0.77 MTNR1A (0.52) SIRT1ALDH1A1KDM4EHPGDHSD17B10

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