SCHEMBL8596151

SCHEMBL8596151

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
ACHE P22303 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
SCHEMBL8599586 0.80 NPC1 (0.48) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL6836981 0.78 NPC1 (0.53) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL4131004 0.77 APP (0.41) CA2CA12CA1CA4CA5A
SCHEMBL8599883 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL8600780 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL8601706 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL8600782 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL8601702 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL8601704 0.77 NPC1 (0.52) CA2PDE3BPDE3ANPC1RAB9A
SCHEMBL6312469 0.76 HTR6 (0.49) CA2ALDH1A1MAPTHSD17B10MAPK1

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