SCHEMBL7928546

SCHEMBL7928546

Cc1cc2c(cc1C)CC(Br)(Br)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL866370 0.70 HTT (0.39) HTTTSHRCYP3A4MAPK1ALDH1A1
Methane SCHEMBL28424227 0.69 HTT (0.38) HTTTSHRALDH1A1GAANPC1
SCHEMBL6905998 0.65 MAPT (0.45) HTTTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL7188472 0.65 HTT (0.36) HTTTSHRALDH1A1GAA
SCHEMBL30441453 0.65 HTT (0.36) HTTTSHRALDH1A1GAA
SCHEMBL29232865 0.65 HTT (0.40) HTTTSHRALDH1A1GAA
SCHEMBL28209601 0.64 HTT (0.32) HTT
SCHEMBL13291858 0.62 HTT (0.34) HTTTSHRALDH1A1GAA
SCHEMBL3483012 0.61 MAPT (0.36) HTTTSHRCYP3A4MAPK1ALDH1A1
SCHEMBL3208997 0.61 POLB (0.42) TSHRALDH1A1GAANPC1MAPT

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-1157047-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP Corporation North America Inc. (US) 2001-11-28 EP disclosed
WO-2000035975-A1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. (US) 2000-06-22 WO disclosed