SCHEMBL7360298

SCHEMBL7360298

CC(C)C1(CCc2ccsc2)CC=CC(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
NAAA Q02083 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
KDM4A O75164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8416522 0.80 CA1 (0.40) TAAR1ALDH1A1MAPT
SCHEMBL6298397 0.78 NAAA (0.32) TAAR1DRD2DRD3NAAA
SCHEMBL6302847 0.78 NAAA (0.32) TAAR1DRD2DRD3NAAA
SCHEMBL6690811 0.78 NAAA (0.32) TAAR1DRD2DRD3NAAA
SCHEMBL5165572 0.61 TAAR1 (0.37) TAAR1DRD2DRD3NAAAHPGD
SCHEMBL1538017 0.60
SCHEMBL12594976 0.59 TAAR1 (0.54) TAAR1DRD2DRD3SLC1A3SLC1A2
SCHEMBL6608641 0.58 ASAH1 (0.37) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL2009601 0.57
SCHEMBL5303749 0.57 TAAR1 (0.55) TAAR1DRD2DRD3SLC1A3SLC1A2

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-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed