SCHEMBL8637440

SCHEMBL8637440

CC(C)c1ccc(Cc2cccc(Cc3ccc(C(C)C)cc3)c2Cc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
SLC5A2 P31639 5/20 0.40
SLC5A1 P13866 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 1/20 0.38
PNP P00491 1/20 0.38
PYCR1 P32322 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NLRP3 Q96P20 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL24203430 0.78 SLC5A1 (0.42) IDO1HTR1DHTR1BSLC5A2SLC5A1
SCHEMBL3956146 0.78 IDO1 (0.56) IDO1HTR1DHTR1BL3MBTL1TYR
SCHEMBL2581905 0.77 KEAP1 (0.63) IDO1SLC5A2SLC5A1TYRNPC1
SCHEMBL18899196 0.74 LMNA (0.44) IDO1HTR1DHTR1BSLC5A2SLC5A1
SCHEMBL4841473 0.74 CALM1 (0.57) IDO1HTR1DHTR1BL3MBTL1NPC1
SCHEMBL7735333 0.73 CALM1 (0.55)
SCHEMBL10601594 0.73 GABRA1 (0.47) L3MBTL1
SCHEMBL3074353 0.73 SLC5A2 (0.34) IDO1HTR1DHTR1BSLC5A2SLC5A1
SCHEMBL128621 0.72 HMGB1 (0.49) L3MBTL1NLRP3NPC1RAB9A
SCHEMBL3084929 0.72 SLC5A2 (0.34) IDO1HTR1DHTR1BSLC5A2SLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933252-A Toners KAO CORPORATION (JP) 1990-06-12 US claimed
EP-0632336-B1 Electrophotographic developer KAO CORP (JP) 1998-07-15 EP disclosed
EP-0632336-A1 Electrophotographic developer Kao Corporation (JP) 1995-01-04 EP disclosed
US-4933252-A Toners KAO CORPORATION (JP) 1990-06-12 US disclosed
EP-0250139-A2 Electrophotographic developer Kao Corporation (JP) 1987-12-23 EP disclosed