SCHEMBL6129259

SCHEMBL6129259

C=C(C=C(CCCNCCCC)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 3/20 0.33
TSHR P16473 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR2 O95136 1/20 0.33
PAOX Q6QHF9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL8997946 0.86 APEX1 (0.40) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL8348270 0.83 GPR84 (0.47) ALOX15CYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL2747280 0.79 HDAC3 (0.39) KDM4EALDH1A1TSHRHDAC1HDAC2
SCHEMBL18229222 0.78 ALOX15 (0.41) ALOX15KDM4EALDH1A1GAATSHR
SCHEMBL4259520 0.77 ZDHHC20 (0.32)
SCHEMBL8568253 0.76 ALDH1A1 (0.43) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL246135 0.75 ALOX15 (0.45) ALOX15CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1561800 0.73 CAMK2A (0.41) KDM4ETSHR
Methacrylic Acid SCHEMBL29289366 0.73 ALOX15 (0.50) ALOX15CYP1A2CYP3A4CYP2D6CYP2C19
Acrylic Acid SCHEMBL7704327 0.72 ALOX15 (0.47) ALOX15CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521748-B9 Washing and/or conditioning composition for keratinous material containing a silicone and an amphoteric polymer derivative of diallyldialkylammonium and an anionic monomer OREAL (FR) 2005-07-20 EP disclosed
EP-0521748-B2 Washing and/or conditioning composition for keratinous material containing a silicone and an amphoteric polymer derivative of diallyldialkylammonium and an anionic monomer OREAL (FR) 2005-03-09 EP disclosed