SCHEMBL9493808

SCHEMBL9493808

C(=C/c1cccc(Oc2ccccc2)c1)\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 5/20 0.55
▸ ALOX5 P09917 3/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ ALOX5AP P20292 1/20 0.52
▸ TLR4 O00206 1/20 0.50
▸ TLR2 O60603 1/20 0.50
▸ PPARG P37231 1/20 0.46
▸ KDM5A P29375 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ AKR1B1 P15121 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
SCHEMBL9493815 1.00 EPOR (0.55) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9493790 0.92 EPOR (0.48) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9493775 0.92 EPOR (0.48) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9130816 0.82 ALOX5 (0.59) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9130834 0.82 ALOX5 (0.59) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL5974386 0.81 IDO1 (0.45) NPC1RAB9AMAPTMAOB
SCHEMBL5974388 0.81 IDO1 (0.45) NPC1RAB9AMAPTMAOB
Bromide SCHEMBL29263922 0.79 IDO1 (0.44) NPC1RAB9AMAPTMAOB
Hydrochloric Acid SCHEMBL28126857 0.79 IDO1 (0.47) NPC1RAB9AMAOB
SCHEMBL4990847 0.79 EPOR (0.62) EPORALOX5PTGS1PTGS2ALOX5AP

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-0279531-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF INSECTICIDALLY ACTIVE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 — — EP claimed
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