SCHEMBL10077875

SCHEMBL10077875

CC(=O)Oc1ccc(C2COc3c(ccc(OC(C)=O)c3C)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP19A1 P11511 8/20 0.42
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GBA1 P04062 1/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL329883 0.91 ALOX12 (0.47) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL12055312 0.89 ALOX12 (0.44) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL154220 0.87 ALOX12 (0.42) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL329909 0.85 NR3C1 (0.48) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL131535 0.83 ALOX12 (0.42) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL242978 0.79 CYP19A1 (0.61) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL2604717 0.79 CYP19A1 (0.64) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL3957591 0.76 ALOX12 (0.53) ALOX12ALOX15CYP19A1CYP3A4KCNH2
SCHEMBL24103982 0.75 PREP (0.41) ALOX12ALOX15CYP19A1KCNH2TRPV1
SCHEMBL2071244 0.75 ALOX12 (0.64) ALOX12ALOX15CYP19A1CYP3A4KCNH2

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-2407462-A1 Substituted chroman derivatives, medicaments and use in therapy Marshall Edwards, Inc. (US) 2012-01-18 EP disclosed
US-8084628-B2 Substituted chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2011-12-27 US disclosed
EP-1794141-B1 SUBSTITUTED CHROMAN DERIVATIVES, MEDICAMENTS AND USE IN THERAPY MARSHALL EDWARDS INC (US) 2011-11-09 EP disclosed
US-7601855-B2 anticancer agents; chemotherapeutic selective agents NOVOGEN RESEARCH PTY LTD (AU) 2009-10-13 US disclosed
US-7601855-B2 anticancer agents; chemotherapeutic selective agents NOVOGEN RESEARCH PTY LTD (AU) 2009-10-13 US disclosed