SCHEMBL8397404

SCHEMBL8397404

C=C(C)C(=O)OCCCOc1cc(-n2nc3ccc(C)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
POLB P06746 3/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL29613654 0.95 NPC1 (0.35) TDP1POLBAPEX1HTTNPC1
SCHEMBL373843 0.95 NPC1 (0.35) TDP1POLBAPEX1HTTNPC1
SCHEMBL19252768 0.91 TDP1 (0.39) TDP1POLBAPEX1HTTNPC1
SCHEMBL29399137 0.90 POLB (0.39) TDP1POLBAPEX1HTTNPC1
SCHEMBL554511 0.90 POLB (0.36) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL292630 0.90 POLB (0.39) TDP1POLBAPEX1HTTNPC1
SCHEMBL30602832 0.90 POLB (0.36) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL13384918 0.89 POLB (0.36) TDP1POLBAPEX1HTT
SCHEMBL15385236 0.89 POLB (0.35) TDP1POLBAPEX1HTT
SCHEMBL13021489 0.89 POLB (0.35) TDP1POLBAPEX1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488145-B1 Ultraviolet light absorbing intraocular lens MENICON CO LTD (JP) 1999-06-09 EP claimed
EP-0488145-A2 Ultraviolet light absorbing ocular lens Menicon Co., Ltd. (JP) 1992-06-03 EP claimed
EP-0488145-B1 Ultraviolet light absorbing intraocular lens MENICON CO LTD (JP) 1999-06-09 EP disclosed
EP-0488145-A2 Ultraviolet light absorbing ocular lens Menicon Co., Ltd. (JP) 1992-06-03 EP disclosed