SCHEMBL7605944

SCHEMBL7605944

CCOc1cc(CBr)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CFD P00746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC22A1 O15245 1/20 0.42
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42

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
SCHEMBL7791924 0.87 TSHR (0.51) TSHRHSD17B10KDM4EKMT2APPARG
SCHEMBL28419574 0.85 PPARA (0.57) TSHRHSD17B10KDM4EKMT2APPARG
SCHEMBL1515826 0.84 CYP4F2 (0.62) TSHRHSD17B10KDM4EKMT2ACYP4F2
SCHEMBL3225523 0.84 TSHR (0.51) TSHRHSD17B10KDM4EKMT2APPARG
SCHEMBL4005109 0.84 FOLH1 (0.52) TSHRHSD17B10KDM4EKMT2APPARG
SCHEMBL506455 0.83 PPARG (0.61) TSHRHSD17B10KDM4EKMT2APPARG
Hydrochloric Acid SCHEMBL8574910 0.83 TSHR (0.47) TSHRHSD17B10KDM4EKMT2APPARG
SCHEMBL6403165 0.81 CFD (0.62) TSHRHSD17B10KDM4EPPARGPPARA
SCHEMBL2828736 0.80 TSHR (0.75) TSHRHSD17B10KDM4EKMT2ACYP3A4
SCHEMBL11481348 0.80 PPARA (0.51) TSHRHSD17B10KDM4EKMT2APPARG

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
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
US-4221815-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed