SCHEMBL16445337

SCHEMBL16445337

C=C(CCC(CC)CCCC)C(=O)O.C=C(CCc1ccccc1)C(=O)O.CC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC3 O15379 4/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 3/20 0.36
CYP3A4 P08684 2/20 0.36
CTSK P43235 2/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 2/20 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
SCHEMBL6131025 0.81 HDAC3 (0.45) ALDH1A1SMN1; SMN2HDAC3LMNATDP1
SCHEMBL2563398 0.79 AKR1C3 (0.54) AKR1C3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8070603 0.77 AKR1C3 (0.58) AKR1C3ALDH1A1LMNATDP1
SCHEMBL2394944 0.77 AKR1C3 (0.58) AKR1C3ALDH1A1LMNATDP1
SCHEMBL22167 0.75 CA2 (0.59) ALDH1A1HDAC3TDP1CA2CYP3A4
Styrene SCHEMBL8956289 0.74 ALDH1A1 (0.37) AKR1C3ALDH1A1HDAC3LMNATDP1
SCHEMBL9715109 0.74 NPC1 (0.52) AKR1C3ALDH1A1SMN1; SMN2NPC1RAB9A
Styrene SCHEMBL6342794 0.74 ALDH1A1 (0.38) AKR1C3ALDH1A1HDAC3LMNATDP1
Methacrylic Acid SCHEMBL2767221 0.74 CA2 (0.54) ALDH1A1HDAC3TDP1CA2CYP3A4
Styrene SCHEMBL6342331 0.74 ALDH1A1 (0.36) AKR1C3ALDH1A1HDAC3LMNATDP1

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-20150044477-A1 MEMBER FOR VEHICLE AND MANUFACTURING PROCESS FOR THE SAME KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2015-02-12 US disclosed