SCHEMBL13799002

SCHEMBL13799002

Cc1csc(-c2ccc(-c3scc(C)c3C)cc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP2A6 P11509 5/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP2C19 P33261 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL22157991 0.88 NPC1 (0.49) NPC1RAB9AMAPTHPGDCASP3
SCHEMBL24440138 0.85 NPC1 (0.40) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL24327094 0.84 HRH3 (0.46) CYP2A6
SCHEMBL7762228 0.83 ADRA1D (0.32) CYP2A6
SCHEMBL24327170 0.76 ADH1B (0.43) NPC1RAB9AMAPTHPGDCASP3
SCHEMBL13156377 0.74
SCHEMBL24440256 0.74 MAPK8 (0.30)
SCHEMBL22299325 0.67 CYP2A6 (0.42) NPC1RAB9AMAPTHPGDCASP3
SCHEMBL5114023 0.67 MAPT (0.47) NPC1RAB9AMAPTHPGDCASP3
SCHEMBL9489536 0.67 NPC1 (0.47) NPC1RAB9AMAPTHPGDCASP3

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-8927114-B2 Light emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-01-06 US disclosed
US-20090140634-A1 Light emitting element and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-06-04 US disclosed
US-7192535-B2 Conjugated molecule and electroluminescent device thereof and electronic device having the electroluminescent device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-03-20 US disclosed