SCHEMBL9564307

SCHEMBL9564307

C=C(COCC(=C)C(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
ALOX15 P16050 3/20 0.40
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NSD2 O96028 1/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL1520832 0.95 ELANE (0.45) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL9564247 0.85 LMNA (0.44) ELANETDP1L3MBTL1HPGDKMT2A
SCHEMBL5611525 0.82 PPARG (0.44) ELANEKMT2ASMN1; SMN2
SCHEMBL351044 0.82 CYP3A4 (0.40) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL31619366 0.80 TSHR (0.49) ELANETDP1L3MBTL1TSHR
SCHEMBL824141 0.78 ELANE (0.46) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL9746065 0.77 ELANE (0.45) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL544812 0.77 ELANE (0.45) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL11243154 0.77 ELANE (0.45) ELANEALOX15TDP1ATML3MBTL1
SCHEMBL434641 0.77 ELANE (0.49) ELANEALOX15TDP1ATML3MBTL1

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-0548736-A1 Process for the preparation of oxadimethacrylic compounds BASF Aktiengesellschaft (DE) 1993-06-30 EP disclosed