SCHEMBL11209703

SCHEMBL11209703

CC#C[CH]c1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
TLR4 O00206 1/20 0.46
TLR2 O60603 1/20 0.46
ALOX5 P09917 3/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
ALOX5AP P20292 1/20 0.43
PPARG P37231 1/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
EPOR P19235 2/20 0.41
AKR1B1 P15121 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL11150720 0.80 ATM (0.46) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL9014614 0.79 TLR4 (0.49) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL191668 0.79 ATM (0.50) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL11034780 0.77 ATM (0.49) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL2658166 0.77 ALDH1A1 (0.38) MAOBLMNATSHRALDH1A1AKR1C3
SCHEMBL1218847 0.76 TLR4 (0.53) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL27900292 0.74 TLR4 (0.64) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL4553033 0.74 TLR4 (0.54) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL10570523 0.73 TLR4 (0.50) MAOBTLR4TLR2ALOX5PTGS1
SCHEMBL15177159 0.73 TLR4 (0.58) MAOBTLR4TLR2ALOX5PTGS1

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
US-4338468-A INTERMEDIATES FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1982-07-06 US disclosed
US-4338468-A INTERMEDIATES FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1982-07-06 US disclosed
US-4338468-A INTERMEDIATES FOR INSECTICIDES CIBA-GEIGY CORPORATION (US) 1982-07-06 US disclosed
EP-0008333-A1 Alpha-prop-1-ynyl-3-phenoxybenzyl alcohols, their preparation and use as intermediate products in the preparation of pesticides CIBA-GEIGY AG (CH) 1980-03-05 EP disclosed