SCHEMBL8598239

SCHEMBL8598239

COc1ccc2cc(C3(O)CCC4(CC3)OCCO4)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
POLB P06746 4/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CHRNA7 P36544 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 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 0.84 CA2 (0.44) CA2CHRNA7MAPTCYP3A4CYP2C19
SCHEMBL8600765 0.83 CA2 (0.43) CA2CHRNA7MAPTLMNANPC1
SCHEMBL4444185 0.83 CA2 (0.43) CA2CHRNA7MAPTLMNANPC1
SCHEMBL8596068 0.83 CA2 (0.43) CA2CHRNA7MAPTLMNANPC1
SCHEMBL8599290 0.80 CHRNA7 (0.42) CA2POLBCHRNA7MAPTLMNA
SCHEMBL4143774 0.79 SIGMAR1 (0.48) KMT2AMEN1CYP3A4CYP2C19CYP2D6
SCHEMBL8598275 0.73 CHRNA7 (0.39) CA2CHRNA7MAPTNPC1RAB9A
SCHEMBL613806 0.72 POLB (0.51) POLBALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL6311972 0.71 ALDH1A1 (0.46) ALDH1A1KMT2ACHRNA7KDM4EMEN1
SCHEMBL615305 0.70 OPRM1 (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1

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