SCHEMBL10844883

SCHEMBL10844883

O=C(OCCO)c1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
MAPT P10636 6/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9682562 0.93 CYP1A2 (0.42) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL10843627 0.88 MAOB (0.44) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL23573621 0.87 MAOA (0.43) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL28295910 0.87 TSHR (0.56) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL6245881 0.86 TSHR (0.57) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL9456116 0.85 TSHR (0.53) MAOBMAPTNPC1RAB9AHPGD
SCHEMBL30254707 0.85 TSHR (0.53) MAOBMAPTNPC1RAB9AHPGD
SCHEMBL2023940 0.84 THRB (0.42) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL27487006 0.84 TSHR (0.52) MAOBMAOAMAPTNPC1RAB9A
SCHEMBL10994411 0.84 ALDH1A1 (0.59) MAPTCYP3A4ALDH1A1POLBTSHR

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
US-4594400-A Thioxanthonecarboxylic acids, esters thioesters and amides with reactive functional groups and polymers prepared therefrom and having thioxanthone radicals as side chains CIBA-GEIGY CORPORATION (US) 1986-06-10 US disclosed
US-4367324-A Photocrosslinkable polymers with thioxanthone and imidyl groupings in side chains CIBA-GEIGY CORPORATION (US) 1983-01-04 US disclosed
US-4348530-A Thioxanthonecarboxylic acids, esters, thioesters and amides with reactive functional groups CIBA-GEIGY CORPORATION (US) 1982-09-07 US disclosed