SCHEMBL5013183

SCHEMBL5013183

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP3A4 P08684 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
ATM Q13315 1/20 0.57
RECQL P46063 1/20 0.51
ALDH1A1 P00352 7/20 0.50
CA2 P00918 4/20 0.50
LMNA P02545 3/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CA1 P00915 1/20 0.39

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
Acrylic Acid SCHEMBL21925310 0.92 TSHR (0.61) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL27768009 0.91 TSHR (0.55) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL16412765 0.89 TSHR (0.47) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL1759450 0.89 TSHR (0.47) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL16412767 0.89 TSHR (0.59) TSHRCYP3A4TDP1ATMRECQL
Terephthalic Acid SCHEMBL27820508 0.88 ALDH1A1 (0.52) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL1048103 0.87 TSHR (0.58) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL28894126 0.87 CYP3A4 (0.61) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL22442109 0.87 CYP3A4 (0.61) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL27497374 0.87 TSHR (0.46) TSHRCYP3A4TDP1ATMRECQL

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
CN-101155571-B Stick solid cosmetic and process for producing the same SHISEDO CO LTD 2012-07-18 CN claimed
US-4826938-A BALANCE OF ADHESION AND COHESION NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-05-02 US claimed
CN-101484499-B Method for producing oxyalkylene polymer and curable composition ASAHI GLASS CO LTD 2013-03-27 CN disclosed
CN-102666663-A Novel organopolysiloxane copolymer DOW CORNING TORAY CO LTD 2012-09-12 CN disclosed
CN-102648264-A Thickening or gelling agent for oil-based raw materials DOW CORNING TORAY CO LTD 2012-08-22 CN disclosed
US-20080188509-A1 Transdermal Preparations and Method for Relieving Side Effects in Pergolide Therapy HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2008-08-07 US disclosed
US-20070082037-A1 Transdermal preparations and method for relieving side effects in pergolide therapy HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2007-04-12 US disclosed
EP-1679075-A1 TRANSDERMAL PREPARATIONS AND METHOD FOR RELIEVING SIDE EFFECTS IN PERGOLIDE THERAPY HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2006-07-12 EP disclosed
US-6242552-B1 AN EMULSION COPOLYMER CONSISTING OF MONOMER OF BIS/2-ETHYLHEXYL/MALEATE, VINYL ACETATE, ETHYLHEXYL ACRYLATE/2-/, METHYL METHACRYLATE, ACRYLIC ACID, AND METHACRYLIC ACID; NONTOXIC; PRESSURE SENSITIVE AND SELF-ADHESIVE AVERY DENNISON CORPORATION 2001-06-05 US disclosed
WO-2001036557-A2 ADHESIVE AVERY DENNISON CORPORATION (US) 2001-05-25 WO disclosed