SCHEMBL9813429

SCHEMBL9813429

COCc1c(Br)c(C)c(O)c(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
SRC P12931 1/20 0.44
AXL P30530 1/20 0.44
PTK2 Q05397 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALK Q9UM73 1/20 0.44
DRD4 P21917 2/20 0.41
MAOA P21397 1/20 0.41
DRD3 P35462 1/20 0.41
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL8373097 0.84 DRD4 (0.60) DRD4MAOADRD3HPGDHSD17B10
SCHEMBL11577916 0.77 CA2 (0.42) IGF1RSRCAXLPTK2AURKB
SCHEMBL9813428 0.76 ALDH1A1 (0.37) DRD4MAOADRD3HPGDHSD17B10
SCHEMBL9503945 0.75 CA1 (0.55) DRD4MAOADRD3HPGDHSD17B10
SCHEMBL9503900 0.75 ALDH1A1 (0.39) DRD4MAOADRD3HPGDHSD17B10
SCHEMBL24418066 0.75 CA2 (0.40) IGF1RSRCAXLPTK2AURKB
SCHEMBL14031843 0.74 IGF1R (0.50) IGF1RSRCAXLPTK2AURKB
SCHEMBL6825519 0.73 ALDH1A1 (0.38) DRD4MAOADRD3HPGDHSD17B10
SCHEMBL16854080 0.73 IGF1R (0.48) IGF1RSRCAXLPTK2AURKB
SCHEMBL6825433 0.73 DRD4 (0.56) DRD4MAOADRD3HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260434-B1 META-HALO-PHENOLIC ALKYLATION PRODUCTS AND EPOXY SYSTEMS THE DOW CHEMICAL COMPANY (US) 1991-08-07 EP disclosed
WO-1989001466-A1 META-HALO-PHENOLIC ALKYLATION PRODUCTS AND EPOXY SYSTEMS THE DOW CHEMICAL COMPANY (US) 1989-02-23 WO disclosed
EP-0260434-A1 Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-23 EP disclosed
US-4731423-A Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed