SCHEMBL7715339

SCHEMBL7715339

COc1cc2c(cc1OC)C(CC(=O)O)NCC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
KMT2A Q03164 3/20 0.57
MAOA P21397 2/20 0.56
TSHR P16473 1/20 0.56
GRIN2D O15399 8/20 0.55
GRIN3B O60391 8/20 0.55
GRIN1 Q05586 8/20 0.55
GRIN2A Q12879 8/20 0.55
GRIN2B Q13224 8/20 0.55
GRIN2C Q14957 8/20 0.55
GRIN3A Q8TCU5 8/20 0.55
KDM4C Q9H3R0 1/20 0.54
MEN1 O00255 1/20 0.53

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
Water SCHEMBL6489575 0.99 BCHE (0.58) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL10636841 0.86 BCHE (0.57) BCHEKMT2AMAOATSHRGRIN2D
Hydrochloric Acid SCHEMBL6478440 0.86 BCHE (0.57) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL10072024 0.84 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL12394540 0.84 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL3382275 0.84 KMT2A (0.62) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL12394541 0.84 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL8202805 0.84 BCHE (0.55) BCHEKMT2AMAOATSHRGRIN2D
SCHEMBL3383043 0.84 KMT2A (0.62) BCHEKMT2AMAOATSHRGRIN2D
Hydrochloric Acid SCHEMBL420910 0.83 BCHE (0.54) BCHEKMT2AMAOATSHRGRIN2D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388054-B1 AMINO ACID SEQUENCES OF ANTITUMOR AGENTS AND APOPTOSIS AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-14 US disclosed
WO-2000011022-A1 ANTI-CANCER COMPOUNDS AND METHODS RELATED THERETO STEWART JOHN M (US) 2000-03-02 WO disclosed