SCHEMBL9813445

SCHEMBL9813445

C[C]C(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL5704200 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL234098 0.81 TDP1 (0.40) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL1262594 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL9738330 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL5178208 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL5704079 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL29719415 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL29719280 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28585211 0.77 ALDH1A1 (0.36) ALDH1A1TSHRTP53HIF1ACYP3A4
Methane SCHEMBL6577549 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTP53HIF1ACYP3A4

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