SCHEMBL6892400

SCHEMBL6892400

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.59
PTPN11 Q06124 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXRA P19793 5/20 0.44
RXRB P28702 4/20 0.44
RARB P10826 5/20 0.43
BCL2 P10415 1/20 0.41
RXRG P48443 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP2C8 P10632 1/20 0.40
EGFR P00533 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6892386 0.92 SRD5A2 (0.53) SRD5A2PTPN11HCRTR1HCRTR2HSD17B10
SCHEMBL2997363 0.84 SRD5A2 (0.63) SRD5A2PTPN11HCRTR1HCRTR2HSD17B10
SCHEMBL9652658 0.80 SRD5A2 (0.57) SRD5A2PTPN11RXRARXRBRARB
SCHEMBL6891189 0.78 HSD17B10 (0.59) SRD5A2HSD17B10RXRARXRBRARB
SCHEMBL2997357 0.78 SMN1; SMN2 (0.56) SRD5A2PTPN11RXRACYP2C8CA1
SCHEMBL8437505 0.77 NR4A2 (0.62) SRD5A2HCRTR1HCRTR2RXRARXRB
SCHEMBL25126172 0.77 RXRA (0.59) SRD5A2HSD17B10RXRARXRBRARB
SCHEMBL322440 0.77 CA1 (0.59) SRD5A2HSD17B10RXRARXRBCA1
SCHEMBL6884342 0.76 SRD5A2 (0.53) SRD5A2PTPN11HSD17B10RXRARXRB
SCHEMBL9751648 0.75 BCL2 (0.58) SRD5A2HCRTR1HCRTR2RXRARXRB

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