SCHEMBL24038361

SCHEMBL24038361

CC(C)(O)C(C)(C)OBc1ccc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 13/20 0.43
▸ RXRB P28702 12/20 0.43
▸ RXRG P48443 12/20 0.43
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ KIF11 P52732 2/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL24038109 1.00 RXRA (0.43) RXRARXRBRXRGBACE1BACE2
SCHEMBL24038257 0.88 RXRA (0.35) RXRARXRBRXRG
SCHEMBL24038354 0.88 RXRA (0.37) RXRARXRBRXRG
SCHEMBL18428342 0.84 PTGS1 (0.35) KIF11
SCHEMBL29338523 0.80 EGFR (0.33) RXRARXRB
SCHEMBL24038174 0.80 BCL2L1 (0.32) —
SCHEMBL25646278 0.79 — —
SCHEMBL19579560 0.78 CYP2C9 (0.35) KIF11
SCHEMBL29339765 0.78 CYP2C9 (0.35) KIF11
SCHEMBL18015556 0.78 CYP2C9 (0.35) KIF11

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-2021230512-A1 BENZAZOLE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 랩토 2021-11-18 — — WO disclosed
Send feedback