SCHEMBL3291065

SCHEMBL3291065

Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccccc2C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL28132916 0.90 CYP3A4 (0.68) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL223726 0.89 CYP3A4 (0.41) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL30524958 0.89 CYP3A4 (0.41) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL31105916 0.89 CYP3A4 (0.41) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL222391 0.89 CYP3A4 (0.41) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL18252 0.87 KMT2A (0.40) CYP3A4TSHRKMT2AMEN1LMNA
SCHEMBL29352226 0.87 KMT2A (0.40) CYP3A4TSHRKMT2AMEN1LMNA
SCHEMBL3690617 0.86 CYP3A4 (0.41) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL669453 0.85 CYP3A4 (0.76) CYP3A4TSHRKMT2AMEN1NPSR1
SCHEMBL4624252 0.84 CYP3A4 (0.39) CYP3A4TSHRKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723449-B2 Catalysts for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2010-05-25 US claimed
US-20090023881-A1 Catalyst for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2009-01-22 US claimed
US-7723449-B2 Catalysts for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2010-05-25 US disclosed
US-20090023881-A1 Catalyst for synthesizing a polypropylene with a wide molecular weight distribution and use of the same CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2009-01-22 US disclosed