SCHEMBL28045273

SCHEMBL28045273

C=CC(=O)Oc1c(C)ccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 4/20 0.36
HTR2B P41595 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTR7 P34969 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
SRD5A2 P31213 1/20 0.35
HTR2C P28335 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PGR P06401 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL23494232 0.85 RAB9A (0.42) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL25297197 0.83 RAB9A (0.38) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL12701591 0.82 RAB9A (0.42) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL28761341 0.79 SRD5A2 (0.35) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL29117658 0.78 NPC1 (0.36) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL1331344 0.78 RAB9A (0.44) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL31628069 0.77 RAB9A (0.43) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL1448886 0.75 NPC1 (0.36) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL29028189 0.75 NPC1 (0.42) RAB9ANPC1KDM4EHTR2BMAPT
SCHEMBL28869545 0.74 TYMS (0.38) RAB9ANPC1KDM4EHTR2BMAPT

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
CN-108863732-A Fluorenes based compound containing vinyl 东京应化工业株式会社 2018-11-23 CN disclosed
CN-105189431-B Vinyl group-containing fluorene compound 东京应化工业株式会社 2018-08-10 CN disclosed
CN-105308122-A Resin composition containing fluorine compound, molded body, wavelength dispersion adjustment agent, and method for adjusting wavelength dispersion of resin OSAKA GAS CHEMICALS CO LTD 2016-02-03 CN disclosed