SCHEMBL7813636

SCHEMBL7813636

CCCCCCCCCC(CCCCCC(F)(F)C(F)(F)F)(C(=O)O)C1c2ccc(O)cc2OCC1(C)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ESR1 P03372 5/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NR1I2 O75469 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
ESRRA P11474 1/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
ESR2 Q92731 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL7805794 1.00 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6938510 0.99 ESR1 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7813131 0.97 DRD2 (0.33) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6938180 0.85 PPARG (0.32) PPARG
SCHEMBL6938280 0.85 PPARG (0.32) ESR1PPARG
SCHEMBL6935467 0.83 ESR1 (0.33) ESR1NR1I2NR3C1PGRESRRA
SCHEMBL7819319 0.83 ESR1 (0.33) ESR1NR1I2NR3C1PGRESRRA
SCHEMBL7813213 0.83 ESR1 (0.33) ESR1NR1I2NR3C1PGRESRRA
SCHEMBL7819408 0.82 ESR1 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7816101 0.82 ESR1 (0.37) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP claimed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO claimed