SCHEMBL29953071

SCHEMBL29953071

Cc1[nH]c(C=O)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
ERN1 O75460 5/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 6/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PIM3 Q86V86 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL2951120 0.78
SCHEMBL6015905 0.78
SCHEMBL29953989 0.73 ERN1 (0.39) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL29955971 0.71 ALDH1A1 (0.42) ERN1ALDH1A1TSHRTDP1KDM4E
SCHEMBL20159038 0.70 ALOX15 (0.43) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL8087354 0.70 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL29957791 0.69 TSHR (0.42) GRIA1GRIA2GRIA3GRIA4ERN1
SCHEMBL7328512 0.67 RAB9A (0.66) ALDH1A1TSHRSMN1; SMN2TDP1KDM4E
SCHEMBL6089194 0.67 MAPT (0.36) CYP2A6ALDH1A1TDP1KDM4ELMNA
SCHEMBL8163576 0.67 CYP2A6 (0.38) GRIA1GRIA2GRIA3GRIA4ERN1

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