SCHEMBL8084872

SCHEMBL8084872

CC(=O)Oc1c[c]cc2c1OCO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.40
KDM4E B2RXH2 1/20 0.40
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
PREP P48147 1/20 0.37
CYP3A4 P08684 1/20 0.36
GAPDH P04406 1/20 0.35
ESR1 P03372 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GBA1 P04062 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 2/20 0.33

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
SCHEMBL688159 0.79 CYP3A4 (0.46) CYP3A4KMT2AMEN1ALDH1A1MAPT
SCHEMBL14754177 0.75 KDM4E (0.47) NQO1KDM4EINSRIGF1RCYP3A4
SCHEMBL8830523 0.74 ACHE (0.43) KDM4EESR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10054017 0.73 ELANE (0.43) NQO1KDM4EINSRIGF1RCYP3A4
SCHEMBL6222952 0.72 TARBP2 (0.42) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL7771817 0.72 ALDH1A1 (0.35) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1452119 0.70 TOP1 (0.44) KDM4EPREPESR1KMT2AMEN1
SCHEMBL10687082 0.69 NQO1 (0.58) NQO1KDM4EINSRIGF1RKMT2A
SCHEMBL29226554 0.69 NQO1 (0.48) NQO1INSRIGF1RCYP3A4GAPDH
SCHEMBL5462155 0.69 AOC3 (0.36) CYP3A4

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