SCHEMBL3397203

SCHEMBL3397203

CC(C)(C)c1cc(O)ccc1C=CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.58
TYR P14679 4/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
ESR1 P03372 2/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
AKR1B1 P15121 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL8170612 1.00 MIF (0.58) MIFTYRALDH1A1CYP2C9ALOX15
SCHEMBL6046317 0.83 MIF (0.63) MIFTYRCA1CA2CA4
SCHEMBL6046318 0.83 MIF (0.63) MIFTYRCA1CA2CA4
SCHEMBL9382617 0.81 ALDH1A1 (0.47) MIFTYRALDH1A1CYP2C9ALOX15
SCHEMBL6516691 0.78 KDM4E (0.52) MIFTYRALDH1A1CYP2C9ALOX15
SCHEMBL6516688 0.78 KDM4E (0.52) MIFTYRALDH1A1CYP2C9ALOX15
SCHEMBL8402490 0.77 NFKB1 (0.56) HTTCA1CA2CA4HCAR2
SCHEMBL818741 0.77 NFKB1 (0.56) HTTCA1CA2CA4HCAR2
SCHEMBL547439 0.77 MIF (0.64) MIFTYRALDH1A1CA1CA2
SCHEMBL547437 0.77 MIF (0.64) MIFTYRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763756-A1 BROMOFLUOROCARBON COMPOSITIONS American Pacific Corporation (US) 2014-08-13 EP claimed
WO-2013052850-A1 BROMOFLUOROCARBON COMPOSITIONS AMERICAN PACIFIC CORPORATION (US) 2013-04-11 WO claimed
EP-2763756-A1 BROMOFLUOROCARBON COMPOSITIONS American Pacific Corporation (US) 2014-08-13 EP disclosed
WO-2013052850-A1 BROMOFLUOROCARBON COMPOSITIONS AMERICAN PACIFIC CORPORATION (US) 2013-04-11 WO disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
WO-2000037552-A1 ADDITIVE CONCENTRATES FOR OLEFINIC POLYMERS GREAT LAKES CHEMICAL CORPORATION (US) 2000-06-29 WO disclosed
EP-0808334-A1 PROPYLENE PENTENE-1 COPOLYMERS, METHOD OF PREPARATION THEREOF AND COMPOSITION CONTAINING THEM Sasol Technology (Proprietary) Limited (ZA) 1997-11-26 EP disclosed
WO-1996024623-A1 PROPYLENE PENTENE-1 COPOLYMERS, METHOD OF PREPARATION THEREOF AND COMPOSITION CONTAINING THEM SASTECH (PROPRIETARY) LIMITED (ZA) 1996-08-15 WO disclosed
EP-0423639-B1 Peroxide masterbatches using polycaprolactone as the carrier ATOCHEM NORTH AMERICA (US) 1995-09-20 EP disclosed
EP-0423639-A2 Peroxide masterbatches using polycaprolactone as the carrier ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-04-24 EP disclosed