SCHEMBL4965033

SCHEMBL4965033

COc1cc(CC([O])=O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 1/20 0.53
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK10 P53779 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7046945 0.86 PTGS2 (0.57) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL2307800 0.84 PTGS2 (0.55) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL499116 0.84 GAA (0.61) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL192064 0.82 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4002124 0.82 GAA (0.59) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL7131019 0.82 KMT2A (0.58) PTGS2KDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL1991744 0.82 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL4240508 0.82 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL2272890 0.82 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL4683243 0.82 KDM4E (0.55) PTGS2KDM4EHTR2AHTR2CHTR2B

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
EP-1946007-A2 ANBROSTEEONE DERIVATIVES AND METHOD OF USE THEREOF California Pacific Medical Center (US) 2008-07-23 EP disclosed
WO-2007048097-A2 ANBROSTEEONE DERIVATIVES AND METHOD OF USE THEREOF CALIFORNIA PACIFIC MEDICAL CENTER (US) 2007-04-26 WO disclosed