SCHEMBL4801464

SCHEMBL4801464

COc1ccc(C(=O)CCCC(C)C)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
HPGD P15428 5/20 0.54
CYP3A4 P08684 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ATM Q13315 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
PGR P06401 2/20 0.49
SLC6A2 P23975 2/20 0.49
ADORA3 P0DMS8 1/20 0.49

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
SCHEMBL3660724 0.84 HTT (0.65) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3662392 0.82 HTT (0.72) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL28047855 0.82 NPC1 (0.62) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3662822 0.81 HTT (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3658608 0.81 HTT (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3663202 0.81 HTT (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3658080 0.81 HTT (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL3660499 0.81 HTT (0.70) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL9114685 0.81 NPC1 (0.57) NPC1RAB9AHPGDCYP3A4ALDH1A1
SCHEMBL19248913 0.81 PDE4B (0.59) NPC1RAB9AHPGDCYP3A4ALDH1A1

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-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 EP disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed