SCHEMBL11230872

SCHEMBL11230872

C=C(C)C(=O)Oc1ccc(OCCOc2ccc(OC(=O)C(=C)C)cc2F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
EGFR P00533 3/20 0.40
FFAR1 O14842 6/20 0.40
PPARD Q03181 4/20 0.40
PPARG P37231 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 2/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19998062 0.96 ELANE (0.43) ELANEKMT2AATMEGFRFFAR1
SCHEMBL19651324 0.87 RARB (0.46) ELANEKMT2AATMEGFRFFAR1
SCHEMBL19674749 0.87 RARB (0.46) ELANEKMT2AATMEGFRFFAR1
SCHEMBL19998066 0.87 RARB (0.44) ELANEKMT2AATMEGFRFFAR1
SCHEMBL29019507 0.85 LMNA (0.49) ELANEKMT2AATMHTTKDM4E
SCHEMBL20174176 0.84 RARA (0.41) ELANEKMT2AATMEGFRFFAR1
SCHEMBL21003701 0.83 FFAR4 (0.38) EGFRFFAR1PPARDTHRB
SCHEMBL20311775 0.83 FFAR1 (0.45) ELANEFFAR1PPARDTDP1POLB
SCHEMBL21469890 0.82 RARB (0.42) ELANEKMT2AATMFFAR1PPARD
SCHEMBL20311779 0.82 RARB (0.42) ELANEKMT2AATMFFAR1PPARD

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
US-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed