SCHEMBL5545019

SCHEMBL5545019

OC(C#Cc1cc(C(F)(F)F)ccc1Cl)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
PDE2A O00408 1/20 0.38
AR P10275 6/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
CHRNA7 P36544 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7094037 0.81 PTGDR2 (0.41) PTGDR2PDE2AARMRGPRX4ALDH1A1
SCHEMBL3253124 0.75 PDE2A (0.41) PTGDR2PDE2AALDH1A1HTTSMN1; SMN2
SCHEMBL78780 0.75 ALDH1A1 (0.51) PTGDR2PDE2AMRGPRX4ALDH1A1HTT
SCHEMBL1922380 0.72 PTGDR2 (0.50) PTGDR2MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4367917 0.72 PDE2A (0.39) PTGDR2PDE2AMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL384969 0.72 AR (0.47) PTGDR2PDE2AARMRGPRX4ALDH1A1
SCHEMBL2515789 0.72 PTGDR2 (0.43) PTGDR2PDE2AMRGPRX4ALDH1A1JAK2
SCHEMBL16951053 0.72 PDE2A (0.41) PTGDR2PDE2AALDH1A1HTTSMN1; SMN2
SCHEMBL29837271 0.72 AR (0.47) PTGDR2PDE2AARMRGPRX4ALDH1A1
SCHEMBL2651995 0.72 PTGDR2 (0.43) PTGDR2PDE2AMRGPRX4ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203225-A1 METHOD OF INCREASING ENDOGENOUS ADIPONECTIN PRODUCTION AND LEPTIN PRODUCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-30 US claimed
EP-1730310-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-13 EP claimed
US-20050261362-A1 Method of increasing endogenous adiponectin and leptin production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-24 US claimed
WO-2005092040-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-06 WO claimed
JP-2002505293-A 2002-02-19 JP claimed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP claimed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO claimed
US-20070203225-A1 METHOD OF INCREASING ENDOGENOUS ADIPONECTIN PRODUCTION AND LEPTIN PRODUCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-30 US disclosed
EP-1730310-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-13 EP disclosed
US-20050261362-A1 Method of increasing endogenous adiponectin and leptin production THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-24 US disclosed
WO-2005092040-A2 A FORMULATION FOR INCREASING ENDOGENOUS ADIPONECTIN AND LEPTIN PRODUCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-06 WO disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed