SCHEMBL13655771

SCHEMBL13655771

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=P

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.75
ESR2 Q92731 8/20 0.75
SHBG P04278 5/20 0.75
HSD17B10 Q99714 4/20 0.75
LMNA P02545 4/20 0.75
STS P08842 4/20 0.75
PGR P06401 4/20 0.75
AR P10275 4/20 0.75
SLC6A4 P31645 4/20 0.75
SLC6A3 Q01959 4/20 0.75
SERPINA6 P08185 3/20 0.75
SNCA P37840 3/20 0.75
HIF1A Q16665 3/20 0.75
CYP3A4 P08684 3/20 0.75
HTR2B P41595 3/20 0.75
HSD17B1 P14061 2/20 0.75
AKR1B10 O60218 2/20 0.75
CYP1A2 P05177 2/20 0.75
MAPT P10636 2/20 0.75
AKR1B1 P15121 2/20 0.75

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
SCHEMBL13752801 1.00 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL8242001 0.87 ESR1 (0.72) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL4391235 0.87 ESR1 (0.72) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL18372494 0.87 ESR1 (0.72) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL5525067 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL1236350 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL14924234 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL12888972 0.87 ESR1 (0.75) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL5028951 0.86 CYP19A1 (1.00) ESR1ESR2SHBGHSD17B10LMNA
Estrone SCHEMBL7831317 0.86 CYP19A1 (1.00) ESR1ESR2SHBGHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246850-A1 METHOD FOR BIOCATALYSIS USING FILAMENTOUS FUNGI UNIVERSITY OF THE WEST INDIES, A REGIONAL INSTITUTION, ESTABLISHED BY ROYAL CHARTER (JM) 2009-10-01 US disclosed