SCHEMBL5817830

SCHEMBL5817830

Cc1cccc(OCC2CCC3OC3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12852056 0.90 ALDH1A1 (0.49) ALDH1A1TLR4TLR2TP53CYP3A4
SCHEMBL14397231 0.90 ALDH1A1 (0.49) ALDH1A1TLR4TLR2TP53CYP3A4
SCHEMBL3718507 0.83 TLR4 (0.49) GRM2KDM4EL3MBTL1ALDH1A1TLR4
SCHEMBL12647108 0.83 TLR4 (0.49) GRM2KDM4EL3MBTL1ALDH1A1TLR4
SCHEMBL5819818 0.82 KDM4E (0.40) GRM2KDM4ETDP1
SCHEMBL14397530 0.82 ALDH1A1 (0.45) ALDH1A1TLR4TLR2TP53CYP3A4
SCHEMBL5749654 0.82 DRD2 (0.48) TDP1DRD2DRD4
SCHEMBL20194411 0.81 ALDH1A1 (0.41) ALDH1A1TLR4TLR2SLC6A2SLC6A4
SCHEMBL24936395 0.81 ALDH1A1 (0.41) KDM4EALDH1A1TLR4TLR2KMT2A
SCHEMBL12855128 0.79 ALDH1A1 (0.39) ALDH1A1TLR4TLR2TP53CYP3A4

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-1632794-A2 Radiation sensitive resin composition for forming microlens JSR Corporation (JP) 2006-03-08 EP disclosed
US-20060008735-A1 Radiation sensitive resin composition for forming microlens JSR CORPORATION (JP) 2006-01-12 US disclosed