SCHEMBL13699317

SCHEMBL13699317

O=C(Cl)C[C@]12CCCC3CC(CC3C1)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.37
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.33
P2RX7 Q99572 2/20 0.32
EPHX2 P34913 1/20 0.31
CCR2 P41597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 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
SCHEMBL16329905 0.87 POLB (0.42) BPTFALDH1A1TSHRP2RX7HSD11B1
SCHEMBL13538409 0.75 P2RX7 (0.40) ALDH1A1P2RX7EPHX2HSD11B1
SCHEMBL5327206 0.75 ALDH1A1 (0.41) BPTFALDH1A1TSHRHSD11B1
SCHEMBL1074062 0.73 ALDH1A1 (0.57) BPTFALDH1A1TSHRP2RX7EPHX2
SCHEMBL25909650 0.73 ALDH1A1 (0.57) BPTFALDH1A1TSHRP2RX7EPHX2
SCHEMBL3716616 0.72 ALDH1A1 (0.38) BPTFALDH1A1TSHRP2RX7EPHX2
SCHEMBL25245007 0.71
SCHEMBL10820607 0.68 POLB (0.44) BPTFALDH1A1TSHRP2RX7HSD11B1
SCHEMBL1594749 0.68 ALDH1A1 (0.32) BPTFALDH1A1GAA
SCHEMBL19174061 0.67 ALDH1A1 (0.50) BPTFALDH1A1TSHRP2RX7EPHX2

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-2009106564-A2 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2009-09-03 WO disclosed