SCHEMBL1035372

SCHEMBL1035372

CC1(C)CCC2(C=O)CCC3(C)C(CCC4C5(C)CCCC(C)(C)C5CCC43C)C2C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.72
IDO1 P14902 2/20 0.40
PTPN2 P17706 1/20 0.39
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC10A1 Q14973 1/20 0.33
TRPA1 O75762 2/20 0.33
USP7 Q93009 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
PRKCD Q05655 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
SCHEMBL13742655 0.84 PTPN1 (1.00) PTPN1IDO1PTPN2ALDH1A1CYP3A4
SCHEMBL3951930 0.77 SLC10A1 (0.56) PTPN1SLC10A1GPBAR1
SCHEMBL19185380 0.72 PTPN1 (0.62) PTPN1IDO1PTPN2ALDH1A1CYP3A4
SCHEMBL19487085 0.71 PTPN1 (0.61) PTPN1IDO1PTPN2ALDH1A1CYP3A4
SCHEMBL14345016 0.71 PTPN1 (0.57) PTPN1SLC10A1USP7GPBAR1PRKCD
SCHEMBL25464072 0.70 PTPN1 (0.56) PTPN1PTPN2USP7GPBAR1PRKCD
SCHEMBL14345254 0.70 LMNA (0.48) PTPN1PTPN2GPBAR1
SCHEMBL14345996 0.70 LMNA (0.48) PTPN1PTPN2GPBAR1
SCHEMBL19338147 0.70 LMNA (0.48) PTPN1PTPN2GPBAR1
SCHEMBL28174220 0.69 PTPN1 (0.58) PTPN1IDO1SLC10A1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276493-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 Reata Pharmaceuticals, Inc. (US) 2011-01-26 EP claimed
WO-2009129546-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. (US) 2009-10-22 WO claimed