SCHEMBL24575151

SCHEMBL24575151

C=C(C)C(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(-c3ccccc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.55
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SLC6A9 P48067 2/20 0.45
BACE1 P56817 5/20 0.43
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MAOB P27338 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17485631 0.94 ELANE (0.49) ELANEMAPTTDP1LMNAGAA
SCHEMBL24574843 0.88 ELANE (0.43) ELANEMAPTTDP1LMNAGAA
SCHEMBL24574533 0.88 ELANE (0.50) ELANEMAPTTDP1LMNAGAA
SCHEMBL242192 0.87 ELANE (0.70) ELANEMAPTTDP1LMNAGAA
SCHEMBL9183109 0.87 ELANE (0.70) ELANEMAPTTDP1LMNAGAA
SCHEMBL24170583 0.85 ELANE (0.42) ELANEMAPTLMNAGAASLC6A9
SCHEMBL21173252 0.85 ELANE (0.42) ELANEBACE1KMT2AATM
SCHEMBL20171780 0.85 ELANE (0.42) ELANEMAPTTDP1LMNAGAA
SCHEMBL17625761 0.85 BACE1 (0.57) ELANEMAPTTDP1LMNAGAA
SCHEMBL22064856 0.85 ELANE (0.64) ELANEMAPTTDP1LMNAGAA

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-2022136231-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2022-06-30 WO disclosed