SCHEMBL4691576

SCHEMBL4691576

O=C(C=Cc1ccc2c(c1)OCO2)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
CYP2D6 P10635 3/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
ALDH1A1 P00352 1/20 1.00
MAOB P27338 3/20 0.71
MAOA P21397 2/20 0.71
CYP1A1 P04798 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP1B1 Q16678 2/20 0.71
PTPN1 P18031 1/20 0.69
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CXCL12 P48061 1/20 0.64
HPGD P15428 1/20 0.62
TNFRSF1A P19438 1/20 0.62
ATM Q13315 1/20 0.60

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
SCHEMBL4691573 1.00 MAPT (1.00) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL26352539 0.96 MAPT (0.92) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL28553855 0.88 MAPT (0.79) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL108665 0.88 MAPT (0.79) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL25209543 0.87 MAPT (0.84) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL3440510 0.87 MAPT (0.84) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL3440511 0.87 MAPT (0.84) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL30383813 0.87 MAPT (0.84) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL1224869 0.86 MAPT (0.76) MAPTCYP2D6KDM4ECYP3A4CYP2C9
SCHEMBL1224867 0.86 MAPT (0.76) MAPTCYP2D6KDM4ECYP3A4CYP2C9

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-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO 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