SCHEMBL21764531

SCHEMBL21764531

CC1(C)OB(c2cccc3c4ccccc4c4ccccc4c4ccccc4c4ccccc4c23)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 11/20 0.43
LIPG Q9Y5X9 11/20 0.43
JAK2 O60674 3/20 0.38
BTK Q06187 3/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35
P4HB P07237 1/20 0.32
P2RX7 Q99572 1/20 0.32
EGFR P00533 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
SCHEMBL29893525 1.00 LPL (0.43) LPLLIPGJAK2BTKALDH1A1
SCHEMBL16807317 1.00 LPL (0.43) LPLLIPGJAK2BTKALDH1A1
SCHEMBL22211893 0.89 LPL (0.41) LPLLIPGJAK2BTKALDH1A1
SCHEMBL18421333 0.87 LIPG (0.45) LPLLIPGP4HBEGFR
SCHEMBL25622461 0.85 CYP1A2 (0.45) LPLLIPGJAK2BTKALDH1A1
SCHEMBL18090435 0.84 MEN1 (0.37) LPLLIPGJAK2BTKALDH1A1
SCHEMBL21331592 0.84 CDC14B (0.33) LPLLIPGJAK2BTKALDH1A1
SCHEMBL31759037 0.84 CDC14B (0.33) LPLLIPGJAK2BTKALDH1A1
SCHEMBL13527502 0.84 LPL (0.44) LPLLIPGJAK2BTKANPEP
SCHEMBL24539770 0.83 CDC14B (0.35) LPLLIPGJAK2BTKALDH1A1

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
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed