SCHEMBL20580264

SCHEMBL20580264

CC=CC(=O)OCCOc1cc(-n2nc3ccc(C)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALOX5 P09917 1/20 0.31
IGF2BP2 Q9Y6M1 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8397405 0.95 KDM4E (0.35) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL7177419 0.90 THRB (0.39) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL2778925 0.86 HDAC8 (0.34) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL20494988 0.85 ALOX5 (0.30) ALOX5
SCHEMBL373843 0.84 NPC1 (0.35) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL29613654 0.84 NPC1 (0.35) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL8400550 0.82 NPC1 (0.38) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL23638712 0.81 NPC1 (0.37) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL6379811 0.80 THRB (0.47) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL8397404 0.80 TDP1 (0.37) RAB9AKDM4EMAPTNPC1ALDH1A1

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
US-20180356561-A1 GEL, GEL MANUFACTURING METHOD, LENS, CONTACT LENS SURFACE MODIFIER, POLYMERIZABLE COMPOSITION, AND POLYMER JSR CORPORATION (JP) 2018-12-13 US disclosed