SCHEMBL8599290

SCHEMBL8599290

COc1ccc2cc(C3(O)CCC(C)CC3)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
CA2 P00918 1/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 2/20 0.37
ITK Q08881 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGDS O60760 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
PDK1 Q15118 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL8600809 0.86 CA2 (0.44) CHRNA7CA2MAOAMAOBNPC1
SCHEMBL8598275 0.85 CHRNA7 (0.39) CHRNA7CA2MAOAMAOBITK
SCHEMBL8596068 0.85 CA2 (0.43) CHRNA7CA2MAOAMAOBNPC1
SCHEMBL8600765 0.85 CA2 (0.43) CHRNA7CA2MAOAMAOBNPC1
SCHEMBL4444185 0.85 CA2 (0.43) CHRNA7CA2MAOAMAOBNPC1
SCHEMBL8598239 0.80 CA2 (0.39) CHRNA7CA2POLBNPC1RAB9A
SCHEMBL8597630 0.79 MAPT (0.45) CHRNA7CA2MAOAMAOBNPC1
SCHEMBL4444144 0.73 CA2 (0.46) CHRNA7CA2POLBCYP1A2CYP3A4
SCHEMBL6311972 0.73 ALDH1A1 (0.46) CHRNA7MAPT
SCHEMBL5756452 0.71 CHRNA7 (0.39) CHRNA7CA2NPC1RAB9A

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
EP-0641791-B1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG CO LTD (JP) 1998-01-28 EP disclosed
US-5472962-A Antiestrogenic agents TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-12-05 US disclosed
EP-0641791-A1 NOVEL BENZOTHIOPHENE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1995-03-08 EP disclosed