SCHEMBL9813432

SCHEMBL9813432

[CH2]c1c(Br)c(C)c(O)c(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13964608 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9171336 0.78 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL6825540 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL13964597 0.75 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL11344925 0.75 ALDH1A1 (0.56) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL846071 0.75 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL5588454 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL6115897 0.74 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL13964611 0.73 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9682184 0.73 ALDH1A1 (0.42) ALDH1A1HPGDALOX15HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4731423-A Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-15 US claimed
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
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
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
US-4731423-A Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed