SCHEMBL16182145

SCHEMBL16182145

O[C@@](c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)(c1cccc(Br)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ESR1 P03372 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
CYP2C9 P11712 2/20 0.32
ENPP1 P22413 3/20 0.32
KIF11 P52732 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
PTPN5 P54829 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
SCHEMBL283048 1.00 RORC (0.35) RORCALDH1A1HTTESR1GPR84
SCHEMBL440108 0.94 ALDH1A1 (0.35) RORCALDH1A1HTTESR1GPR84
SCHEMBL438804 0.90 RORC (0.35) RORCALDH1A1ESR1GPR84CYP2C9
SCHEMBL438808 0.89 HDAC8 (0.42) ALDH1A1HTTCYP2C9CYP1A2CYP2D6
SCHEMBL438674 0.88 MAPK1 (0.39) RORCALDH1A1GPR84CYP2C9ENPP1
SCHEMBL438809 0.87 CYP11B1 (0.37) RORCALDH1A1HTTGPR84CYP2C9
SCHEMBL440772 0.83 ALOX5 (0.46) ALDH1A1HTT
SCHEMBL1191671 0.80 CRHBP (0.35) RORCALDH1A1ESR1CYP2C9CYP1A2
SCHEMBL9285749 0.79 ALDH1A1 (0.42) ALDH1A1CYP2C9KIF11CYP1A2CYP2D6
SCHEMBL440660 0.79 HSD17B1 (0.39) ALDH1A1HTTESR1CYP1A2HSD17B10

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-2428512-B1 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2014-10-22 EP disclosed