SCHEMBL25944784

SCHEMBL25944784

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
ABCB1 P08183 1/20 0.38
FFAR1 O14842 5/20 0.37
PPARD Q03181 3/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
BACE1 P56817 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFD P00746 1/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
DHODH Q02127 1/20 0.34
NAAA Q02083 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
SCHEMBL9607907 0.93 ELANE (0.48) ELANEKMT2AATMABCB1FFAR1
SCHEMBL19824549 0.93 ELANE (0.48) ELANEKMT2AATMABCB1FFAR1
SCHEMBL21183111 0.91 CFD (0.38) ELANEKMT2AATMABCB1FFAR1
SCHEMBL18699653 0.90 ABCB1 (0.47) ELANEABCB1FFAR1PPARDBACE1
SCHEMBL17433322 0.90 CFD (0.41) ELANEKMT2AATMABCB1FFAR1
SCHEMBL9607788 0.88 CFD (0.42) ELANEKMT2AATMFFAR1LMNA
SCHEMBL21183099 0.88 ELANE (0.42) ELANEKMT2AATMABCB1FFAR1
SCHEMBL25944979 0.87 ERN1 (0.37) ELANEKMT2AATMABCB1FFAR1
SCHEMBL21469976 0.86 THRB (0.40) ELANEKMT2AATMABCB1FFAR1
SCHEMBL17433294 0.86 THRB (0.40) ELANEKMT2AATMABCB1FFAR1

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-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed