SCHEMBL29951789

SCHEMBL29951789

CCOc1ccc2cc(C=O)c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.59
MAPT P10636 3/20 0.59
ESR2 Q92731 1/20 0.59
TYMS P04818 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL29955116 0.89 HSD17B10 (0.59) HSD17B10MAPTESR2PDE3BPDE3A
SCHEMBL29956595 0.84 KDM4E (0.51) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL1039269 0.84 KDM4E (0.51) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL29954984 0.79 LMNA (0.47) HSD17B10MAPTESR2PDE3BPDE3A
SCHEMBL13849761 0.77 FLT3 (0.43) MAPTALDH1A1KDM4ETSHRKMT2A
SCHEMBL19448889 0.75 DAO (0.60) HSD17B10MAPTALDH1A1HPGDKDM4E
SCHEMBL21676421 0.75 HSD17B10 (1.00) HSD17B10MAPTESR2PDE3BPDE3A
SCHEMBL29609392 0.74 ALDH1A1 (0.56) HSD17B10MAPTPDE3BPDE3AALDH1A1
SCHEMBL28590063 0.74 ALDH1A1 (0.56) HSD17B10MAPTPDE3BPDE3AALDH1A1
SCHEMBL5543703 0.73 HSD17B10 (0.54) HSD17B10MAPTESR2TYMSPDE3B

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