SCHEMBL8649339

SCHEMBL8649339

O[C]1c2ccccc2CC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
NOS3 P29474 4/20 0.38
NOS2 P35228 3/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
METAP1 P53582 1/20 0.35
CES1 P23141 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
SCHEMBL14870745 0.79 HTR2A (0.55) ACHESMN1; SMN2HRH1HRH4NOS3
SCHEMBL29439854 0.79 HTR2A (0.55) ACHESMN1; SMN2HRH1HRH4NOS3
SCHEMBL1093558 0.77 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL7338494 0.77 NOS3 (0.44) ACHESMN1; SMN2HRH1HRH4NOS3
SCHEMBL30737574 0.77 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL32679178 0.77 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL32679177 0.77 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL8097427 0.77 ACHE (0.39) ACHESMN1; SMN2HRH1HRH4NOS3
SCHEMBL8336431 0.77 NOS3 (0.44) ACHESMN1; SMN2HRH1HRH4NOS3
SCHEMBL7998826 0.77 ACHE (0.59) ACHESMN1; SMN2TSHRMEN1KMT2A

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
EP-0555036-B1 Antitumor compositions and methods of treatment LILLY CO ELI (US) 1998-09-09 EP disclosed
US-5262440-A Treatment of neoplasms ELI LILLY AND COMPANY (US) 1993-11-16 US disclosed
US-5254582-A Using n-((3,4-dichlorophenyl)amino)carbonyl)-2,3-dihydro-benzofuran-5-sulfonamide ELI LILLY AND COMPANY (US) 1993-10-19 US disclosed
EP-0555036-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-08-11 EP disclosed
EP-0546763-A1 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-06-16 EP disclosed