SCHEMBL22544530

SCHEMBL22544530

C=Cc1c(/C=C\C)n(C)c2cc(-c3ccccc3)cc(-c3ccccc3)c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 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
SCHEMBL22544438 0.79 — —
SCHEMBL18626392 0.70 LMNA (0.44) ALDH1A1LMNA
SCHEMBL19789908 0.70 MAPT (0.33) ALDH1A1LMNA
SCHEMBL24223787 0.69 LMNA (0.34) HSD17B10ALDH1A1LMNA
SCHEMBL10596892 0.68 PTPN1 (0.41) HSD17B10ALDH1A1LMNA
SCHEMBL23544129 0.68 PDE10A (0.31) HSD17B10ALDH1A1
SCHEMBL22544312 0.67 HSD17B10 (0.53) HSD17B10ALDH1A1LMNA
SCHEMBL25734896 0.67 — —
SCHEMBL16883877 0.67 GPR3 (0.44) HSD17B10ALDH1A1LMNA
SCHEMBL19789897 0.67 GPR3 (0.34) ALDH1A1LMNA

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-2020209599-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-10-15 — — WO disclosed
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