SCHEMBL6892386

SCHEMBL6892386

CCc1cc(C(=O)O)ccc1-c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.53
PTPN11 Q06124 1/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
RARB P10826 6/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6892400 0.92 SRD5A2 (0.59) SRD5A2PTPN11RARBHCRTR1HCRTR2
SCHEMBL2997357 0.84 SMN1; SMN2 (0.56) SRD5A2PTPN11RXRASMN1; SMN2TP53
SCHEMBL9652658 0.83 SRD5A2 (0.57) SRD5A2PTPN11RARBRXRARXRB
SCHEMBL6884735 0.79 RXRA (0.51) SRD5A2PTPN11RARBHSD17B10RXRA
SCHEMBL2635961 0.79 BCL2 (0.50) SRD5A2RARBHCRTR1HCRTR2RXRA
SCHEMBL6891189 0.78 HSD17B10 (0.59) SRD5A2RARBHSD17B10RXRARXRB
SCHEMBL2997363 0.78 SRD5A2 (0.63) SRD5A2PTPN11HCRTR1HCRTR2HSD17B10
SCHEMBL9751648 0.78 BCL2 (0.58) SRD5A2RARBHCRTR1HCRTR2RXRA
SCHEMBL322440 0.77 CA1 (0.59) SRD5A2PPARGPPARAHSD17B10RXRA
SCHEMBL717095 0.77 ALDH1A1 (0.54) SRD5A2RXRARXRBGAASMN1; SMN2

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
WO-2004003561-A9 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME UNIV NORTHWESTERN (US) 2004-08-12 WO disclosed
WO-2004003561-A1 PEPTIDE ROD AMPHIPHILES AND SELF-ASSEMBLY OF SAME NORTHWESTERN UNIVERSITY (US) 2004-01-08 WO disclosed