SCHEMBL7979768

SCHEMBL7979768

COCCCCCCCCCCCC[O]

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.34
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 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
SCHEMBL1006574 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL425479 1.00
SCHEMBL1008919 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL1008577 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL7610633 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL1006326 1.00 ALDH1A1 (0.50) ALDH1A1TSHRLPAR3LPAR1LPAR2
SCHEMBL430013 1.00
SCHEMBL429617 0.97
SCHEMBL7413040 0.92 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL4392852 0.88 ALDH1A1 (0.41) ALDH1A1TSHR

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-2001094348-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-12-13 WO disclosed