SCHEMBL6570523

SCHEMBL6570523

CCCCc1ccc2c(c1)OC(O)(CCl)CO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.38
TRPV1 Q8NER1 2/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SKP2 Q13309 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CNR2 P34972 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6569158 0.96 THRA (0.40) CALM1TRPV1HDAC1HDAC3HDAC2
SCHEMBL6570393 0.95 THRA (0.42) TRPV1HDAC1HDAC3HDAC2HDAC6
SCHEMBL6570579 0.95 CALM1 (0.38) CALM1TRPV1HDAC1HDAC3HDAC2
SCHEMBL6570589 0.88 CNR2 (0.38) CALM1TRPV1HDAC1HDAC3HDAC2
SCHEMBL6567583 0.87 HDAC3 (0.39) TRPV1HDAC1HDAC3HDAC2HDAC6
SCHEMBL6568426 0.86 CALM1 (0.38) CALM1TRPV1HDAC1HDAC3HDAC2
SCHEMBL6569099 0.86 TAAR1 (0.36) CALM1TAAR1CNR2HPGD
SCHEMBL6567593 0.86 PARP1 (0.39) TAAR1RAB9ANPSR1
SCHEMBL6569112 0.82 SCN9A (0.34) CALM1TAAR1HPGDNPSR1
SCHEMBL6567693 0.81 GRIN2D (0.38) CALM1HDAC1HDAC3HDAC2HDAC6

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-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed