SCHEMBL14596706

SCHEMBL14596706

CCc1cc(CC[C@@](O)(CC(=O)OC)C2CCCC2)cc(CC)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SYK P43405 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ACKR3 P25106 1/20 0.31
HPGDS O60760 1/20 0.31
GLA P06280 1/20 0.31
OPRK1 P41145 1/20 0.31
HPGD P15428 1/20 0.30
SSTR4 P31391 1/20 0.30
SLC13A5 Q86YT5 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3437561 0.92 PTGDR (0.33) PTGDRPTGDR2SYKEPHX2ALDH1A1
SCHEMBL12748354 0.89 KMT2A (0.34) SYKALDH1A1HPGDMEN1KMT2A
SCHEMBL1464150 0.89 THRA (0.33) PTGDR2SYKSLC13A5
SCHEMBL1464148 0.89 THRA (0.33) PTGDR2SYKSLC13A5
SCHEMBL3437747 0.89 THRA (0.33) PTGDR2SYKSLC13A5
SCHEMBL12827205 0.85 KMT2A (0.36) SYKALDH1A1HPGDMEN1KMT2A
SCHEMBL4697247 0.85 KMT2A (0.36) SYKALDH1A1HPGDMEN1KMT2A
SCHEMBL12748374 0.85 SYK (0.32) SYKACKR3
SCHEMBL1465423 0.85 SYK (0.32) SYKACKR3
SCHEMBL7999874 0.70 NPC1 (0.40) EPHX2ALDH1A1HPGDMEN1KMT2A

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
WO-2007023381-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed