SCHEMBL3789636

SCHEMBL3789636

CCC(C)Oc1ccc2ccsc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
ACACB O00763 2/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MCHR1 Q99705 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HSP90AB1 P08238 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL3793132 0.87 CA2 (0.47) MRGPRX4GPBAR1CYSLTR1CA12CA2
SCHEMBL827314 0.83 PARP10 (0.44) MRGPRX4CA12CA2RAB9APARP15
SCHEMBL827195 0.76 MAPT (0.50) MRGPRX4CA12CA2AKR1C3AKR1C2
SCHEMBL533227 0.75 GPBAR1 (0.38) GPBAR1CYSLTR1ACACBAKR1C3AKR1C2
SCHEMBL3794336 0.73 MRGPRX4 (0.47) MRGPRX4GPBAR1CYSLTR1CA12CA2
SCHEMBL3797078 0.73 MRGPRX4 (0.47) MRGPRX4GPBAR1CYSLTR1CA12CA2
SCHEMBL155194 0.73 CYP1A2 (0.48) MRGPRX4CA12CA2MAPT
SCHEMBL31053115 0.73 CYP1A2 (0.48) MRGPRX4CA12CA2MAPT
SCHEMBL31621489 0.73 MRGPRX4 (0.47) MRGPRX4CA12CA2NPC1RAB9A
SCHEMBL20325808 0.73 CYP2A6 (0.48) GPBAR1CYSLTR1ACACBAKR1C3AKR1C2

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-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed