SCHEMBL4901912

SCHEMBL4901912

C=C(C)C(=O)OCCCC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.74
HPGD P15428 1/20 0.53
CYP3A4 P08684 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 2/20 0.47
ALDH1A1 P00352 5/20 0.42
CA2 P00918 1/20 0.42
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL2708767 0.95 TSHR (0.67) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL30200835 0.95 TSHR (0.71) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL10797039 0.95 TSHR (0.71) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL1823127 0.95 TSHR (0.71) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL1448030 0.95 TSHR (0.70) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL10773417 0.94 TSHR (0.66) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL11407971 0.94 TSHR (0.69) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL6849095 0.94 TSHR (0.69) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL9065069 0.93 TSHR (0.81) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL11385705 0.93 TSHR (0.62) TSHRHPGDCYP3A4TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030082227-A1 Transdermal device comprising a reservoir and a matrix containing the same active principle PIERRE FABRE MEDICAMENT (FR) 2003-05-01 US claimed
JP-5230318-A None JP disclosed
US-20080057810-A1 Production Of Absorbent Composites BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
US-20030082227-A1 Transdermal device comprising a reservoir and a matrix containing the same active principle PIERRE FABRE MEDICAMENT (FR) 2003-05-01 US disclosed
US-6254751-B1 Process for the multi-layered coating of substrates with electrophoretic coating material and powder coating material BASF COATINGS AG (DE) 2001-07-03 US disclosed
JP-H05230318-A THERMOSETTING RESIN COMPOSITION KANEGAFUCHI CHEM IND CO LTD 1993-09-07 JP disclosed
US-4962165-A Process for making silicone particles ROHM AND HAAS COMPANY (US) 1990-10-09 US disclosed
EP-0378370-A2 Process for making silicone-containing polymer particles ROHM AND HAAS COMPANY (US) 1990-07-18 EP disclosed
US-4293661-A GLYCIDYL ACRYLATE, GLYCIDYL VINYL ETHER BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-3988405-A CERAMIC, ACRYLIC POLYMER BINDER SMITH ROBERT D 1976-10-26 US disclosed