SCHEMBL5547489

SCHEMBL5547489

CCC(=O)CC(=O)C(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
FFAR3 O14843 1/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5531394 0.82 HDAC3 (0.39) FFAR3TSHRALDH1A1KDM4C
SCHEMBL27770220 0.81 TDP1 (0.41) TDP1
SCHEMBL1022151 0.79 FFAR3 (0.42) TDP1FFAR3TSHRALDH1A1KDM4C
SCHEMBL407289 0.77 TDP1 (0.47) TDP1FFAR3ALDH1A1
SCHEMBL362834 0.77 LDHA (0.42) TDP1FFAR3TSHRALDH1A1KDM4C
SCHEMBL2216131 0.77 FFAR3 (0.40) TDP1FFAR3TSHRALDH1A1KDM4C
SCHEMBL2126093 0.76 CYP2C19 (0.39) TDP1ALDH1A1CYP2D6CYP2C19
SCHEMBL4841368 0.75 KDM4E (0.37) TDP1FFAR3TSHRALDH1A1KDM4C
SCHEMBL42256 0.75 TSHR (0.36) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL1076867 0.74 RIPK1 (0.35) TSHRALDH1A1KDM4CCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303809-B1 ORGANOMETALLIC COMPLEXES OF RUTHENIUM OR OSMIUM HAVING CARBONYL LIGAND AND BETA-DIKETONATE LIGAND COORDINATED TO METAL ATOM Chi, Yun (TW) 2001-10-16 US claimed
US-7247504-B2 Ferroelectric capacitor, process for production thereof and semiconductor device using the same FUJITSU LIMITED (JP) 2007-07-24 US disclosed
US-6855974-B2 Ferroelectric capacitor, process for production thereof and semiconductor device using the same FUJITSU LIMITED (JP) 2005-02-15 US disclosed
US-20040135183-A1 Ferroelectric capacitor, process for production thereof and semiconductor device using the same FUJITSU LIMITED (JP) 2004-07-15 US disclosed
US-6303809-B1 ORGANOMETALLIC COMPLEXES OF RUTHENIUM OR OSMIUM HAVING CARBONYL LIGAND AND BETA-DIKETONATE LIGAND COORDINATED TO METAL ATOM Chi, Yun (TW) 2001-10-16 US disclosed
US-4036605-A CATALYZING OXIDATION OF HYDROCARBONS WITH A B-KETOENOLATE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1977-07-19 US disclosed