SCHEMBL5244183

SCHEMBL5244183

CCCCC(CC)Cc1ccccc1C(=C(C#N)C(=O)O)c1ccccc1.Nc1ccccc1C(=O)OCCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
MAPK1 P28482 5/20 0.51
LMNA P02545 4/20 0.51
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 5/20 0.42
CA2 P00918 1/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TSHR P16473 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GLA P06280 1/20 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
Octocrylene SCHEMBL5244177 0.86 ALDH1A1 (0.71) ALDH1A1MAPK1LMNAHSD17B10KDM4E
SCHEMBL125996 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1LMNAHSD17B10KDM4E
SCHEMBL9138289 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1LMNAHSD17B10KDM4E
Salicylic Acid SCHEMBL3216090 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1LMNAHSD17B10KDM4E
SCHEMBL9015799 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1LMNAHSD17B10KDM4E
SCHEMBL27859577 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAPOLBCYP3A4
SCHEMBL30464659 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1LMNACYP3A4CA2
SCHEMBL17202662 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1LMNAHSD17B10KDM4E
Octisalate SCHEMBL28468920 0.74 LMNA (0.72) ALDH1A1MAPK1LMNAHSD17B10CYP3A4
SCHEMBL29771191 0.72 ALDH1A1 (0.61) ALDH1A1MAPK1LMNAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765949-A1 CARE COMPOSITION UNILEVER PLC (GB) 2007-03-28 EP disclosed
WO-2006002714-A1 CARE COMPOSITION UNILEVER PLC (GB) 2006-01-12 WO disclosed
WO-2005118763-A1 BLEACHING COMPOSITION UNILEVER PLC (GB) 2005-12-15 WO disclosed