SCHEMBL9815568

SCHEMBL9815568

CCOC(=O)Oc1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45

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
SCHEMBL8096279 0.88 MAPT (0.51) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10788212 0.85 NPC1 (0.53) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL9815538 0.83 MAPT (0.47) TYMSMAPTNPC1RAB9ACYP1A2
SCHEMBL914221 0.82 MAPT (0.52) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL10936116 0.81 DHFR (0.42) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL8213468 0.81 MAPT (0.46) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL3252488 0.81 MAPT (0.54) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL7098554 0.81 MAPT (0.50) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL28728255 0.81 MAPT (0.43) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL29264291 0.80 MAPT (0.47) MAPTNPC1RAB9ACYP1A2CYP3A4

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-0277915-B1 PHOTOINITIATOR MIXTURE CONTAINING A TITANOCENE AND A 3-KETOCOUMARIN CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed
EP-0304403-A2 Plastic composition containing superconductors CIBA-GEIGY AG (CH) 1989-02-22 EP disclosed