SCHEMBL27262121

SCHEMBL27262121

CCCOCCC(C)CN

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 1/20 0.31
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30

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
SCHEMBL9192646 0.84 HSD17B10 (0.48) HSD17B10TDP1
SCHEMBL16526503 0.81 CA2 (0.34)
SCHEMBL20064605 0.79 HSD17B10 (0.44) HSD17B10TDP1
SCHEMBL9065709 0.78 HTT (0.35) HSD17B10HTTTDP1CYP3A4DNM1
SCHEMBL10554106 0.77
SCHEMBL22663332 0.77 HSD17B10 (0.42) HSD17B10HTTTDP1
SCHEMBL20850620 0.77 HSD17B10 (0.42) HSD17B10HTTTDP1
SCHEMBL24138784 0.76 CA2 (0.32) TDP1
SCHEMBL14252484 0.76 HTT (0.52) HTTCYP3A4DNM1
SCHEMBL9750949 0.76 TSHR (0.46) HSD17B10TDP1

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-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed