SCHEMBL8086646

SCHEMBL8086646

COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
TOP2A P11388 1/20 0.41
ERN1 O75460 1/20 0.39
CDK2 P24941 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APP P05067 2/20 0.38
PTGES O14684 2/20 0.37
NQO2 P16083 1/20 0.37
GAA P10253 2/20 0.36
FYN P06241 1/20 0.36
CHEK1 O14757 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2951387 0.91 ALOX5 (0.53) ALOX5TOP2AERN1CDK2MAPT
SCHEMBL8081527 0.87 ALOX5 (0.48) ALOX5TOP2ACDK2MAPTALDH1A1
SCHEMBL8085115 0.85 ALOX5 (0.53) ALOX5TOP2AMAPTMEN1ALDH1A1
SCHEMBL8072504 0.84 ALOX5 (0.56) ALOX5CDK2MAPTMEN1ALDH1A1
SCHEMBL2952410 0.84 ALOX5 (0.71) ALOX5MAPTMEN1ALDH1A1KMT2A
SCHEMBL8080340 0.83 ALOX5 (0.45) ALOX5TOP2AERN1MEN1ALDH1A1
SCHEMBL8084967 0.82 ALOX5 (0.56) ALOX5CDK2MAPTMEN1ALDH1A1
SCHEMBL8080562 0.80 ALOX5 (0.56) ALOX5CDK2MAPTKDM4ENPSR1
SCHEMBL8084927 0.80 ALOX5 (0.56) ALOX5CDK2MEN1KMT2A
SCHEMBL8080571 0.80 ALOX5 (0.62) ALOX5TOP2AERN1MAPTMEN1

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
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed