SCHEMBL22544549

SCHEMBL22544549

CC(C)(O)C(C)(C)OBc1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.38
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMAD3 P84022 1/20 0.33

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
SCHEMBL23018775 0.90 EGFR (0.40) EGFRRXRARXRBPDCD1CD274
SCHEMBL19299397 0.87 PTGDR2 (0.39) SLC6A9MEN1LMNAMAPTKMT2A
SCHEMBL23018866 0.84 GPR84 (0.37) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL25524191 0.83 ESR1 (0.33) ALOX5MEN1KMT2ASMN1; SMN2HSD17B1
SCHEMBL26048192 0.82 PDE4B (0.33) EGFRBACE1HPRT1
SCHEMBL19119685 0.82 CYP2D6 (0.34) EGFRPDCD1CD274RAB9A
SCHEMBL21851587 0.81 L3MBTL1 (0.38) EGFRPDCD1CD274SLC6A9MEN1
SCHEMBL19781091 0.80 NPC1 (0.40) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL18371186 0.80 RXRA (0.36) RXRARXRBPDCD1CD274ALOX5
SCHEMBL18732907 0.80 MEN1 (0.36) RXRARXRBALOX5MEN1KMT2A

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
Send feedback