SCHEMBL28107692

SCHEMBL28107692

C=C(C)C(=O)OC1CCCCC1.C=CC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
THRB P10828 2/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
BCHE P06276 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
GAA P10253 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
SCHEMBL9186604 0.89 ELANE (0.52) ELANEALDH1A1RAB9ATDP1FABP7
SCHEMBL28079756 0.86 ALDH1A1 (0.48) ELANEALDH1A1RAB9AFABP7FABP5
SCHEMBL10705134 0.83 ALDH1A1 (0.41) ALDH1A1
Styrene SCHEMBL3780614 0.83 FABP7 (0.41) ELANEALDH1A1TDP1FABP7FABP5
SCHEMBL23644757 0.82 EPHX1 (0.38) ALDH1A1
SCHEMBL6311505 0.82 EPHX1 (0.38) ALDH1A1
Benzene SCHEMBL28199384 0.82 EPHX1 (0.42) ALDH1A1TDP1FABP7FABP5FAAH
Styrene SCHEMBL209795 0.81 TDP1 (0.39) ALDH1A1TDP1FABP7FABP5KDM4E
SCHEMBL28155810 0.81 ELANE (0.49) ELANEALDH1A1RAB9ATDP1FABP7
Acrylic Acid SCHEMBL10347249 0.80 EPHX1 (0.39) ALDH1A1TDP1FABP7FABP5

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
CN-105980414-A PRODUCTION METHOD OF (METH)ACRYLIC RESIN COMPOSITION 株式会社可乐丽 2016-09-28 CN disclosed