SCHEMBL28700313

SCHEMBL28700313

Oc1ccccc1Cc1cc(-c2ccc(F)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.55
BACE1 P56817 1/20 0.45
CYP1A2 P05177 1/20 0.44
MPO P05164 2/20 0.43
KEAP1 Q14145 1/20 0.42
ALOX5 P09917 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 2/20 0.40
PTGS2 P35354 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
SCHEMBL28707120 0.83 HSPA5 (0.55) HSPA5BACE1CYP1A2KEAP1ALOX5
SCHEMBL50409 0.81 BACE1 (0.62) HSPA5BACE1CYP1A2ALOX5GABRA1
SCHEMBL8370360 0.77 HSD17B1 (0.64) BACE1CYP1A2GABRA1GABRB2MEN1
SCHEMBL2577181 0.76 KEAP1 (0.70) HSPA5MPOKEAP1ALOX5MEN1
SCHEMBL1616373 0.75 HIF1A (0.54) HSPA5MEN1KMT2AUSP2LMNA
SCHEMBL49745 0.74 HSPA5 (1.00) HSPA5MPOKEAP1LMNAMAPT
SCHEMBL29357407 0.74 HSPA5 (1.00) HSPA5MPOKEAP1LMNAMAPT
SCHEMBL5208612 0.74 ALOX5 (0.57) BACE1CYP1A2ALOX5GABRA1GABRB2
SCHEMBL51661 0.74 ALOX5 (0.61) HSPA5BACE1CYP1A2ALOX5MEN1
SCHEMBL29738649 0.73 MEN1 (0.62) BACE1CYP1A2KEAP1ALOX5MEN1

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
CN-110431177-B Curable composition, in particular as primer for the adhesion of crystalline rubbers to substrates 汉高股份有限及两合公司 2022-03-01 CN disclosed