SCHEMBL4029326

SCHEMBL4029326

CS(=O)(=O)OCCCOCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.51
AR P10275 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
BCHE P06276 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3187746 0.89 MGLL (0.59) MGLLARNPC1HPGDRAB9A
SCHEMBL5691423 0.89 AR (0.56) MGLLARNPC1HPGDRAB9A
SCHEMBL5757576 0.88 MGLL (0.61) MGLLARNPC1HPGDRAB9A
SCHEMBL8889394 0.87 MGLL (0.64) MGLLARNPC1HPGDRAB9A
SCHEMBL24041852 0.82 CA1 (0.51) NPC1RAB9AFFAR1CA12CA1
SCHEMBL20294565 0.82 ALDH1A1 (0.45) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3438747 0.82 POLB (0.47) HPGDCA1CA2CA9
SCHEMBL5277439 0.82 CA1 (0.49) MGLLARNPC1HPGDRAB9A
SCHEMBL4167398 0.81 MGLL (0.49) MGLLARNPC1HPGDRAB9A
SCHEMBL24041893 0.81 FFAR1 (0.57) MGLLNPC1RAB9AFFAR1CA12

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
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed