SCHEMBL6941156

SCHEMBL6941156

CCCCCCCCCC(CCCCCCC(F)(F)C(F)(F)F)(C(=O)O)C1c2ccc(OC)cc2SCC1(C)c1ccc(OC)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 2/20 0.31
CNR2 P34972 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MTNR1B P49286 3/20 0.30
MTNR1A P48039 2/20 0.30
NR1I2 O75469 1/20 0.30
RORC P51449 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL6935693 0.90
SCHEMBL7819319 0.88 ESR1 (0.33) NR1I2
SCHEMBL7813213 0.88 ESR1 (0.33) NR1I2
SCHEMBL6937839 0.87 ESR1 (0.34) NR1I2
SCHEMBL7812177 0.86 ESR1 (0.31) NR1I2
SCHEMBL5854319 0.80 MTNR1A (0.31) MTNR1BMTNR1AKDM1A
SCHEMBL7813218 0.79 SIGMAR1 (0.32)
SCHEMBL7128086 0.76 MTNR1A (0.32) MTNR1BMTNR1A
SCHEMBL5854887 0.76 MTNR1A (0.32) MTNR1BMTNR1A
SCHEMBL5856061 0.76 ESR1 (0.40) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240156-A4 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
EP-1240156-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
WO-2001042237-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO disclosed