SCHEMBL9015799

SCHEMBL9015799

CCCCC(CC)COc1ccccc1C(=O)O.CCCCC(CC)Cc1ccccc1C(=C(C#N)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 3/20 0.57
CYP3A4 P08684 2/20 0.43
CA2 P00918 1/20 0.43
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.36
ABCB1 P08183 2/20 0.35
HSD17B10 Q99714 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL125996 0.89 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1CYP3A4CA2
Salicylic Acid SCHEMBL3216090 0.86 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1CYP3A4CA2
Octocrylene SCHEMBL9015793 0.85 ALDH1A1 (0.79) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL27859577 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL30343699 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL128501 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL31750409 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL31751235 0.80 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL5244183 0.77 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL17202662 0.77 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1CYP3A4CA2

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-0747038-A2 Thickened and stabilized cosmetic sunscreen emulsions UNILEVER PLC (GB) 1996-12-11 EP disclosed