SCHEMBL9628657

SCHEMBL9628657

CCCCCCOC(C)CC[O]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.44
EPHX2 P34913 1/20 0.39
LPAR3 Q9UBY5 5/20 0.38
LPAR1 Q92633 4/20 0.38
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
LPAR2 Q9HBW0 2/20 0.36
NAAA Q02083 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL711762 0.91 EPHX2 (0.35) DNM1EPHX2CA1CA2FDPS
SCHEMBL2530066 0.86 EPHX2 (0.44) DNM1EPHX2LPAR3LPAR1
SCHEMBL2530019 0.86 EPHX2 (0.44) DNM1EPHX2LPAR3LPAR1
SCHEMBL17253503 0.85 DNM1 (0.48) DNM1EPHX2
SCHEMBL12080582 0.85 DNM1 (0.48) DNM1EPHX2LPAR3LPAR1LPAR2
SCHEMBL19219115 0.85 DNM1 (0.48) DNM1EPHX2
SCHEMBL3153652 0.85 DNM1 (0.48) DNM1EPHX2LPAR3LPAR1LPAR2
SCHEMBL3039218 0.85 DNM1 (0.48) DNM1EPHX2
SCHEMBL4022359 0.85 DNM1 (0.48) DNM1EPHX2
SCHEMBL7082641 0.85 DNM1 (0.48) DNM1EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260910-B1 3,6-DIPHENYLPYRIDAZINES Chisso Corporation (JP) 1992-05-27 EP claimed
EP-0260910-B1 3,6-DIPHENYLPYRIDAZINES Chisso Corporation (JP) 1992-05-27 EP disclosed
US-4818430-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-04-04 US disclosed
EP-0260910-A1 3,6-Diphenylpyridazines Chisso Corporation (JP) 1988-03-23 EP disclosed