SCHEMBL8615385

SCHEMBL8615385

Cc1c(SBr)ccc2c1C(=O)CCO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.30

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
SCHEMBL8616718 0.76
SCHEMBL8520031 0.74 LMNA (0.35) LMNAMAPT
SCHEMBL8307110 0.69 MAOB (0.34) MAOBMAOALMNAMAPTGRM5
SCHEMBL769591 0.68 MAP3K14 (0.42) MAOBMAOALMNAMAPTGRM5
SCHEMBL2156974 0.68 ALDH1A1 (0.36) MAOBMAOALMNAMAPTGRM5
SCHEMBL30873459 0.66 CYP19A1 (0.50) LMNAMAPTGRM5
SCHEMBL86076 0.66 CYP19A1 (0.50) LMNAMAPTGRM5
SCHEMBL13506273 0.65 MAOB (0.39) MAOBMAOALMNAMAPTGRM5
SCHEMBL27203819 0.65 PTGS2 (0.39) MAOBMAOALMNAMAPTGRM5
SCHEMBL23861127 0.65 MAPT (0.38) MAOBMAOALMNAMAPTGRM5

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-5849926-A Pyrazole derivatives and herbicides containing the same IDEMITSU KOSAN CO., LTD. (JP) 1998-12-15 US disclosed
US-5756759-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
US-5591868-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN CO., LTD. (JP) 1997-01-07 US disclosed
EP-0728756-A1 PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-08-28 EP disclosed
US-5506194-A CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY IDEMITSU KOSAN CO., LTD. (JP) 1996-04-09 US disclosed