SCHEMBL7582323

SCHEMBL7582323

C=CCOC(=O)C(Cl)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP2C9 P11712 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL7572180 0.86 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL464886 0.81
SCHEMBL7573520 0.80 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7580766 0.79 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL16429694 0.79 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL366726 0.79
SCHEMBL367625 0.79
SCHEMBL35945 0.79
SCHEMBL8846146 0.79
SCHEMBL7573054 0.78 CYP3A4 (0.35) TDP1TSHRCYP3A4MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042055-A1 Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions MAXYGEN, INC. 2002-04-11 US disclosed
WO-2001046476-A1 ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS MAXYGEN, INC. (US) 2001-06-28 WO disclosed
US-5243065-A Exhibit ferroelectricity; optoelectronics, display devices IDEMITSU KOSAN CO., LTD. (JP) 1993-09-07 US disclosed
EP-0362714-B1 LIQUID-CRYSTALLINE COMPOUNDS AND LIQUID-CRYSTALLINE POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-24 EP disclosed
EP-0223328-A1 Process for producing oxiracetam DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-05-27 EP disclosed