SCHEMBL28301508

SCHEMBL28301508

C1=CCC(C2=CC=CC2)=C1.Oc1ccc(-c2ccc3c(c2-c2ccc(O)cc2)Cc2ccccc2-3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
PGR P06401 1/20 0.36
PNMT P11086 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ESR2 Q92731 3/20 0.33
ABL1 P00519 2/20 0.33
ABCB1 P08183 2/20 0.33
BCR P11274 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 2/20 0.32
MIF P14174 1/20 0.32
SRD5A2 P31213 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL29907851 0.87 CHEK1 (0.48) CHEK1PGRPNMTNPC1RAB9A
SCHEMBL1828388 0.87 CHEK1 (0.48) CHEK1PGRPNMTNPC1RAB9A
Biphenyl SCHEMBL28185288 0.83 CHEK1 (0.48) CHEK1PGRPNMTESR2ABL1
SCHEMBL9572327 0.80 CHEK1 (0.46) CHEK1PGRPNMTNPC1RAB9A
SCHEMBL8984737 0.75 PGR (0.47) PGRPNMTNPC1RAB9AKDM4E
SCHEMBL30150694 0.75 ADORA2A (0.45) CHEK1PGRPNMTNPC1RAB9A
SCHEMBL29766669 0.74 ADORA2A (0.47) PGRPNMTNPC1RAB9AKDM4E
SCHEMBL150217 0.74 ADORA2A (0.47) PGRPNMTNPC1RAB9AKDM4E
Ammonia Solution, Strong SCHEMBL28343573 0.74 PGR (0.46) PGRPNMTNPC1RAB9AKDM4E
SCHEMBL8718651 0.74 PGR (0.39) PGRPNMTNPC1RAB9AKDM4E

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-109923475-A Photosensitive coloring composition, cured product, coloring spacer and image display device 三菱化学株式会社 2019-06-21 CN disclosed