SCHEMBL28635846

SCHEMBL28635846

CCCCc1c(O)ccc(CCC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.51
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRKCI P41743 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX5 P09917 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL709628 0.94 TYR (0.58) TYRHTTHPGDNPC1MAPK1
SCHEMBL23387423 0.92 TYR (0.46) TYRHTTHPGDNPC1MAPK1
SCHEMBL3909647 0.89 TYR (0.51) TYRHTTHPGDNPC1MAPK1
SCHEMBL28796605 0.87 TYR (0.54) TYRHTTHPGDNPC1MAPK1
SCHEMBL28956867 0.87 TYR (0.69) TYRHTTMEN1KMT2AALOX5
SCHEMBL25276675 0.86 TYR (0.49) TYRHTTHPGDNPC1MAPK1
SCHEMBL981203 0.85 TYR (0.47) TYRHTTHPGDNPC1MAPK1
SCHEMBL7950540 0.84 TYR (0.53) TYRHTTHPGDNPC1MAPK1
SCHEMBL982268 0.83 TYR (0.54) TYRHTTHPGDNPC1MAPK1
SCHEMBL224102 0.83 TYR (0.59) TYRHTTHPGDNPC1MAPK1

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
CN-113348205-A Method for stabilizing halogen-free thermoplastic recyclates, plastic composition, stabilizer composition and use of stabilizer composition 弗劳恩霍夫应用研究促进协会 2021-09-03 CN disclosed