SCHEMBL4694181

SCHEMBL4694181

Cc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.76
CYP2D6 P10635 2/20 0.76
ALDH1A1 P00352 2/20 0.76
KDM4E B2RXH2 2/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
MAOB P27338 2/20 0.71
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP1B1 Q16678 1/20 0.71
PTPN1 P18031 1/20 0.69
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAOA P21397 2/20 0.64
CXCL12 P48061 1/20 0.64
ALOX12 P18054 1/20 0.63

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
SCHEMBL4694179 1.00 MAPT (0.76) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL108665 0.88 MAPT (0.79) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL28553855 0.88 MAPT (0.79) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL3440511 0.87 MAPT (0.84) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL30383813 0.87 MAPT (0.84) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL25209543 0.87 MAPT (0.84) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL3440510 0.87 MAPT (0.84) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL1224869 0.86 MAPT (0.76) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL1224867 0.86 MAPT (0.76) MAPTCYP2D6ALDH1A1KDM4ECYP3A4
SCHEMBL4691573 0.86 MAPT (1.00) MAPTCYP2D6ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed
EP-0975224-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 2000-02-02 EP disclosed
US-6020287-A USING MIXTURE OF HERBICIDE AND PHENYL-SUBSTITUTED OLEFIN COMPOUND MONSANTO COMPANY (US) 2000-02-01 US disclosed
WO-1998033385-A1 PROCESS AND COMPOSITIONS FOR ENHANCING RELIABILITY OF EXOGENOUS CHEMICAL SUBSTANCES APPLIED TO PLANTS MONSANTO COMPANY (US) 1998-08-06 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed