SCHEMBL26944370

SCHEMBL26944370

CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc5c(c4)CCCC5)cc3)c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TDP2 O95551 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B3 P37058 1/20 0.30
▸ NLRP3 Q96P20 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
SCHEMBL26944371 1.00 CYP11B1 (0.34) CYP11B1CYP11B2TDP2PDK2MAPT
SCHEMBL26944369 0.98 CYP11B1 (0.33) CYP11B1CYP11B2TDP2
SCHEMBL26944454 0.97 CYP11B1 (0.32) CYP11B1CYP11B2MAPTMAPK1
SCHEMBL26943761 0.97 CYP11B1 (0.33) CYP11B1CYP11B2MAPTMAPK1NLRP3
SCHEMBL26943668 0.97 CYP11B1 (0.33) CYP11B1CYP11B2MAPTMAPK1NLRP3
SCHEMBL26944378 0.96 PDK2 (0.32) CYP11B1CYP11B2TDP2PDK2
SCHEMBL26944980 0.96 CYP11B1 (0.32) CYP11B1CYP11B2MAPTMAPK1NLRP3
SCHEMBL26943669 0.96 CYP11B1 (0.32) CYP11B1CYP11B2MAPTMAPK1
SCHEMBL26945044 0.96 CYP11B1 (0.33) CYP11B1CYP11B2TDP2MAPTMAPK1
SCHEMBL26945042 0.96 CYP11B1 (0.33) CYP11B1CYP11B2TDP2MAPTMAPK1

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-2023239091-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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