SCHEMBL26279145

SCHEMBL26279145

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5c4C(C)(C)c4ccccc4-5)c3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ GSTP1 P09211 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ PDK2 Q15119 6/20 0.31
▸ HDAC4 P56524 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
SCHEMBL26279160 0.98 PDK2 (0.33) LPLLIPGHSD17B1HSD17B2GSTP1
SCHEMBL24918547 0.97 HSD17B1 (0.33) LPLLIPGHSD17B1HSD17B2SLC6A2
SCHEMBL26279020 0.96 PDK2 (0.33) LPLLIPGHSD17B1HSD17B2SLC6A2
SCHEMBL24919023 0.96 PDK2 (0.33) LPLLIPGHSD17B1HSD17B2ESR1
SCHEMBL24156260 0.96 LPL (0.36) LPLLIPGHSD17B1HSD17B2GSTP1
SCHEMBL24842183 0.94 LPL (0.34) LPLLIPGHSD17B1HSD17B2ESR1
SCHEMBL24842284 0.94 LPL (0.34) LPLLIPGHSD17B1HSD17B2ESR1
SCHEMBL23224397 0.93 PDK2 (0.36) LPLLIPGHSD17B1HSD17B2GSTP1
SCHEMBL24918510 0.93 PDK2 (0.36) LPLLIPGHSD17B1HSD17B2GSTP1
SCHEMBL24255797 0.93 PDK2 (0.36) LPLLIPGHSD17B1HSD17B2GSTP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301177-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCENT ELEMENT, ORGANIC ELECTROLUMINESCENCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 — — US disclosed
US-20230301177-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCENT ELEMENT, ORGANIC ELECTROLUMINESCENCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-21 — — US disclosed
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