SCHEMBL6569099

SCHEMBL6569099

CCCc1ccc2c(c1)OCC(O)(CCl)O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CALM1 P0DP23 3/20 0.35
SLC5A2 P31639 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC5A1 P13866 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6570579 0.92 CALM1 (0.38) TAAR1CNR2CALM1HPGD
SCHEMBL6568363 0.90 CALM1 (0.36) TAAR1CNR1CNR2CALM1KMT2A
SCHEMBL6570523 0.86 CALM1 (0.38) TAAR1CNR2CALM1HPGD
SCHEMBL6567576 0.85 TAAR1 (0.35) TAAR1CALM1LMNAHPGD
SCHEMBL6569158 0.85 THRA (0.40) CNR2CALM1KDM4ELMNACYP3A4
SCHEMBL6570393 0.84 THRA (0.42) CNR2KDM4ELMNACYP3A4
SCHEMBL6568426 0.83 CALM1 (0.38) TAAR1CNR2CALM1HPGD
SCHEMBL6567693 0.83 GRIN2D (0.38) TAAR1CNR1CALM1
SCHEMBL6567593 0.82 PARP1 (0.39) TAAR1KMT2AKDM4EMEN1CYP3A4
SCHEMBL6569219 0.82 TAAR1 (0.38) TAAR1CYP3A4HPGD

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