SCHEMBL28045776

SCHEMBL28045776

CCCCc1c[c]c(C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.50
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5 P09917 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 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
SCHEMBL5565377 0.89 HMGCR (0.44) TYRHTTMAPK1NPC1HPGD
SCHEMBL4656377 0.83 TYR (0.52) TYRHTTMAPK1NPC1HPGD
SCHEMBL9056784 0.81 TYR (0.50) TYRHTTMAPK1NPC1HPGD
SCHEMBL29022204 0.81 TYR (0.36) TYRHTTMAPK1NPC1HPGD
SCHEMBL2776799 0.80 ALOX15 (0.36) HTTMAPK1HPGDMAPTMEN1
SCHEMBL8848639 0.76 ALOX5 (0.54) TYRHTTHPGDNPSR1ALOX5
SCHEMBL156399 0.75 TYR (0.65) TYRHTTMAPK1NPC1HPGD
SCHEMBL10671033 0.75 ALOX5 (0.49) TYRHTTALOX5MAPTMEN1
SCHEMBL3382419 0.73 TYR (0.63) TYRHTTMAPK1NPC1HPGD
SCHEMBL12166722 0.72 TYR (0.57) TYRHTTMAPK1NPC1HPGD

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
CN-107286300-A Polyorganosiloxane-containing graft copolymer, resin composition, and molded article 三菱化学株式会社 2017-10-24 CN disclosed
CN-102686662-B For the polyolefin compositions of film BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2015-11-25 CN disclosed