SCHEMBL8262015

SCHEMBL8262015

CC1c2ccoc2CC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.37
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32
TBXAS1 P24557 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRK1 P41145 5/20 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
SCHEMBL13117920 1.00 GID4 (0.37) GID4POLBHSD17B10GAACYP19A1
SCHEMBL10459608 0.74 GID4 (0.32) GID4CYP19A1TBXAS1MEN1KMT2A
SCHEMBL14530666 0.70 HTR1A (0.30)
SCHEMBL13117925 0.70 HTR1A (0.30)
SCHEMBL6101683 0.70 GID4 (0.37) GID4POLBHSD17B10CYP19A1TBXAS1
SCHEMBL16363077 0.69 CYP19A1 (0.42) GID4POLBHSD17B10GAACYP19A1
SCHEMBL13845052 0.69 CYP19A1 (0.42) GID4CYP19A1TBXAS1
SCHEMBL7508090 0.69 CYP19A1 (0.42) GID4POLBHSD17B10GAACYP19A1
SCHEMBL12900509 0.69 CYP19A1 (0.42) GID4CYP19A1TBXAS1
SCHEMBL16363090 0.69 CYP19A1 (0.42) GID4POLBHSD17B10GAACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851193-B1 HIV PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-22 EP disclosed
WO-2007048557-A1 PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-05-03 WO disclosed
WO-2006084688-A1 HIV protease inhibitors MEDIVIR AB (SE) 2006-08-17 WO disclosed