SCHEMBL31073608

SCHEMBL31073608

CCCCCCCCC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.60
HTR7 P34969 1/20 0.57
THRA P10827 2/20 0.54
THRB P10828 2/20 0.54
STS P08842 4/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL31073614 1.00 HSD17B3 (0.60) HSD17B3HTR7THRATHRBSTS
SCHEMBL31073598 0.86 MAPT (0.60) HSD17B3HTR7THRATHRBCES2
SCHEMBL17679986 0.86 HSD17B3 (0.55) HSD17B3HTR7THRATHRBSTS
SCHEMBL7389372 0.85 CES2 (0.50) HSD17B3HTR7THRATHRBCES2
SCHEMBL6359903 0.83 HDAC6 (0.55) HTR7CES2CES1RAB9AMAPT
SCHEMBL13085847 0.82 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL13085794 0.82 HSD17B3 (0.85) HSD17B3HTR7THRATHRBSTS
SCHEMBL2420242 0.81 THRA (0.60) HSD17B3HTR7THRATHRBRAB9A
SCHEMBL9431809 0.81 CES2 (0.50) HSD17B3HTR7CES2CES1RAB9A
SCHEMBL9440214 0.81 HTR7 (0.86) HSD17B3HTR7THRATHRBSTS

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-2024172156-A1 COMPOUND HAVING BRASSINOSTEROID-LIKE ACTIVITY 国立大学法人東海国立大学機構 2024-08-22 WO disclosed