SCHEMBL28298032

SCHEMBL28298032

Oc1cc(Oc2ccccc2)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.51
LTA4H P09960 1/20 0.50
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
ALOX5 P09917 1/20 0.47
STK39 Q9UEW8 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL7836993 0.82 GSTP1 (0.53) GSTP1LTA4HNR1H2BAXALOX5
SCHEMBL14283896 0.80 GSTP1 (0.64) GSTP1LTA4HNR1H2BAXTSHR
SCHEMBL28298033 0.80 NPSR1 (0.56) GSTP1ALOX5SMN1; SMN2CYP1A2NPSR1
SCHEMBL27018972 0.79 CYP1A2 (0.58) GSTP1LTA4HALOX5MEN1KMT2A
SCHEMBL5685512 0.78 MAOA (0.57) GSTP1LTA4HNR1H2BAXALOX5
Diphenylether SCHEMBL9751425 0.78 LTA4H (0.74) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL196125 0.78 LTA4H (0.67) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL1025535 0.77 LTA4H (0.59) LTA4HNR1H2BAXSTK39MEN1
SCHEMBL1277058 0.77 TSHR (0.50) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL30628468 0.77 TSHR (0.50) LTA4HNR1H2BAXMEN1KMT2A

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-107083052-B Polyamide material and preparation method thereof for welding assembly 深圳市前海宇昕科技有限公司 2019-05-03 CN disclosed