SCHEMBL17538716

SCHEMBL17538716

C(=C/c1cccs1)\c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.49
PTGS2 P35354 6/20 0.49
ALOX5 P09917 5/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1B1 Q16678 2/20 0.49
RAB9A P51151 1/20 0.46
HCAR2 Q8TDS4 1/20 0.43
CHEK1 O14757 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL12067561 0.83 RAB9A (0.61) PTGS1PTGS2ALOX5CYP1A1CYP1A2
SCHEMBL2853621 0.83 RAB9A (0.61) PTGS1PTGS2ALOX5CYP1A1CYP1A2
SCHEMBL2975996 0.83 RAB9A (0.61) PTGS1PTGS2ALOX5CYP1A1CYP1A2
SCHEMBL17538727 0.81 PTGS1 (0.41) PTGS1PTGS2ALOX5CYP1A1CYP1A2
SCHEMBL530889 0.79 NFE2L2 (0.58) CHEK1BCL2L1BADNFE2L2CYP19A1
SCHEMBL7535716 0.79 NFE2L2 (0.58) CHEK1BCL2L1BADNFE2L2CYP19A1
SCHEMBL18002886 0.77 PTGS1 (0.50) PTGS1PTGS2ALOX5CYP1A1CYP1A2
Bromide SCHEMBL27958666 0.77 NFE2L2 (0.56) CHEK1BCL2L1BADNFE2L2CYP19A1
SCHEMBL23064402 0.76 TTR (0.58) PTGS1PTGS2ALOX5CYP1A1CYP1A2
SCHEMBL22887500 0.76 TTR (0.58) PTGS1PTGS2ALOX5CYP1A1CYP1A2

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
EP-2315792-B1 ELECTROLUMINESCENT POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF MERCK PATENT GMBH (DE) 2016-02-17 EP disclosed