SCHEMBL6678646

SCHEMBL6678646

O=C(O)C1=C(O)C(=O)N(CCc2cccc(Cl)c2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.51
TAAR1 Q96RJ0 1/20 0.39
P2RX7 Q99572 3/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6078569 0.91 LIPG (0.60) LIPGPOLB
SCHEMBL6076915 0.81 LIPG (0.48) LIPGKDM4EALDH1A1
SCHEMBL6077832 0.81 LIPG (0.44) LIPGALDH1A1
SCHEMBL27723159 0.80 CYP1A2 (0.53) LIPGP2RX7GAAALDH1A1POLB
SCHEMBL6078575 0.79 LIPG (0.54) LIPG
SCHEMBL6077310 0.78 LIPG (0.56) LIPGTAAR1GAA
SCHEMBL6079147 0.73 LIPG (0.54) LIPG
SCHEMBL6078875 0.72 LIPG (0.45) LIPG
SCHEMBL6077604 0.72 LIPG (0.57) LIPGPOLB
SCHEMBL7212684 0.72 LIPG (0.54) LIPGPOLB

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-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed