SCHEMBL11414218

SCHEMBL11414218

O=C(O)CCC(=O)OC1/C=C\C(OC(=O)CCC(=O)O)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
NAAA Q02083 2/20 0.36
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
IDO1 P14902 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL11413316 0.81 LMNA (0.42) LMNAALDH1A1SMN1; SMN2NAAATHRB
SCHEMBL3473161 0.78 NAAA (0.56) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL22213807 0.76 NAAA (0.58) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
Cyclohexane SCHEMBL27646533 0.76 NAAA (0.58) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL3472508 0.76 NAAA (0.58) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL27617118 0.74 NAAA (0.52) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL19690549 0.73 LMNA (0.47) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL5071456 0.73 LMNA (0.47) LMNAMMP3ALDH1A1SMN1; SMN2NAAA
SCHEMBL11425307 0.72 POLB (0.35) ALDH1A1
SCHEMBL11425304 0.72 POLB (0.35) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US claimed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US claimed
US-4242228-A URANIUM COMPOUND, ALKALI METAL COMPOUND, HALIDE AND DIHALOBUTENE AND/OR CARBOXYLIC ACID PHILLIPS PETROLEUM COMPANY (US) 1980-12-30 US disclosed
US-4216119-A IN A CARBOXYLIC ACID MEDIA PHILLIPS PETROLEUM COMPANY (US) 1980-08-05 US disclosed
US-4213879-A HYDROCARBYL TITANIUM COMPOUND OR HYDROCARBYL TITANIUM HALIDE PROVE USEFUL IN THE OXIDATION OF CONJUGATED DIOLEFINS TO DIACYLOXY OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1980-07-22 US disclosed
US-4180676-A Conversion of conjugated diolefins to diacyloxy olefins PHILLIPS PETROLEUM COMPANY (US) 1979-12-25 US disclosed
US-4164615-A USING AS CATALYST A TITANIUM COMPOUND, AN ALKALI METAL COMPOUND, AND A HALIDE PHILLIPS PETROLEUM COMPANY (US) 1979-08-14 US disclosed
US-4162363-A BY REACTION WITH OXYGEN AND A CARBOXYLIC ACID COMPONENT PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed