SCHEMBL23544604

SCHEMBL23544604

CCCC(=O)c1cc(C)c(C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B3 P37058 1/20 0.45
LMNA P02545 6/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.40
RAB9A P51151 2/20 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
SCHEMBL7953584 0.82 HSP90AB1 (0.45) HSD17B10ALOX15ALDH1A1LMNAMAPT
SCHEMBL11271074 0.82 HPGD (0.48) HPGDHSD17B10ALOX15ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11264387 0.80 HPGD (0.47) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL22419879 0.78 HTT (0.49) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL5569924 0.78 MEN1 (0.51) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL5568822 0.78 MEN1 (0.71) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL15543731 0.77 KMT2A (0.51) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL11328772 0.77 GAA (0.42) HSD17B10ALOX15ALDH1A1TDP1LMNA
SCHEMBL10803691 0.76 TDP1 (0.43) HPGDHSD17B10ALOX15ALDH1A1TSHR
SCHEMBL22359915 0.76 GSK3B (0.48) HSD17B10ALOX15ALDH1A1TDP1LMNA

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
WO-2021127282-A1 SUBSTITUTED 1,2, 4-TRIAZOLES AND METHODS OF USE STINGINN LLC (US) 2021-06-24 WO disclosed