SCHEMBL2098809

SCHEMBL2098809

CCCCCOC(CC)C(C)[O]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 6/20 0.34
LPAR2 Q9HBW0 1/20 0.33
NAAA Q02083 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL8638148 0.83 DNM1 (0.42) DNM1LPAR1LPAR3CNR1CNR2
SCHEMBL27637123 0.82 DNM1 (0.43) DNM1LPAR1LPAR3CA1CA2
SCHEMBL27369699 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL27410575 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL27386764 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL10525652 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL27537259 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL9730111 0.78 DNM1 (0.41) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL9731464 0.77 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2
SCHEMBL9730536 0.77 DNM1 (0.44) DNM1LPAR1LPAR3LPAR2

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
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed