SCHEMBL700280

SCHEMBL700280

CCCOc1ccc2ccc(C3CCCS3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 5/20 0.48
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
BCHE P06276 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL701986 0.95 MAOA (0.48) MAOAMAOBCA12CA1CA2
SCHEMBL27639854 0.92 MAOA (0.50) MAOAMAOBCA12CA1CA2
Methane SCHEMBL28755004 0.91 MAOA (0.49) MAOAMAOBCA12CA1CA2
SCHEMBL27639881 0.90 MAOA (0.48) MAOAMAOBCA12CA1CA2
SCHEMBL703410 0.90 MAOA (0.46) MAOAMAOBCA12CA1CA6
SCHEMBL27639895 0.89 MAOA (0.47) MAOAMAOBCA12CA1CA2
SCHEMBL702892 0.82 CYP1A2 (0.43) MAOACYP1A2MAPK1TSHR
SCHEMBL27621080 0.79 MAOA (0.44) MAOACYP1A2KDM4EMAPK1TSHR
SCHEMBL27639935 0.79 SLC6A2 (0.45) MAOAMAOB
Fluoride SCHEMBL27659999 0.78 MAOA (0.62) MAOAMAOBCYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325694-B1 RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST PATTERN FORMATION METHOD JSR CORP (JP) 2017-11-08 EP disclosed
US-20120164586-A1 PATERN FORMING METHOD JSR CORPORATION (JP) 2012-06-28 US disclosed
US-8124314-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2012-02-28 US disclosed
US-20110262865-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-10-27 US disclosed
US-20110212401-A1 RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST PATTERN FORMATION METHOD JSR CORPORATION (JP) 2011-09-01 US disclosed
EP-2325694-A1 RADIATION-SENSITIVE RESIN COMPOSITION, AND RESIST PATTERN FORMATION METHOD JSR Corporation (JP) 2011-05-25 EP disclosed
US-20100221664-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20100203452-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2010-08-12 US disclosed