SCHEMBL23713819

SCHEMBL23713819

CC(C)(O)C(C)(C)OBc1ccc(Nc2ccc(-c3ccc(F)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXN P10599 1/20 0.35
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL24038174 0.91 BCL2L1 (0.32) CYP3A4
SCHEMBL24307366 0.87 CYP26A1 (0.36) PTPN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24307778 0.87 ALDH1A1 (0.38) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL24742078 0.86 HSD11B1 (0.31) —
SCHEMBL10224510 0.79 SCN4A (0.36) LMNACYP1A2CYP2C19MAPTALDH1A1
SCHEMBL21202777 0.78 NPC1 (0.41) PTPN1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL25646278 0.78 — —
SCHEMBL18015556 0.77 CYP2C9 (0.35) LMNACYP1A2CYP2C19NPC1MAPT
SCHEMBL19579560 0.77 CYP2C9 (0.35) LMNACYP1A2CYP2C19NPC1MAPT
SCHEMBL29339765 0.77 CYP2C9 (0.35) LMNACYP1A2CYP2C19NPC1MAPT

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-2021154041-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2021-08-05 — — WO disclosed
Send feedback