SCHEMBL9491939

SCHEMBL9491939

ClCC=Cc1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EPOR P19235 4/20 0.48
▸ ALOX5 P09917 3/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ ALOX5AP P20292 1/20 0.46
▸ TERT O14746 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ TLR4 O00206 2/20 0.43
▸ TLR2 O60603 2/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ RELA Q04206 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 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
SCHEMBL9491925 1.00 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2EPORALOX5
SCHEMBL9492638 0.89 EPOR (0.58) ALDH1A1EPORALOX5PTGS1PTGS2
SCHEMBL9492646 0.89 EPOR (0.58) ALDH1A1EPORALOX5PTGS1PTGS2
SCHEMBL9493790 0.80 EPOR (0.48) ALDH1A1HPGDSMN1; SMN2EPORALOX5
SCHEMBL9493775 0.80 EPOR (0.48) ALDH1A1HPGDSMN1; SMN2EPORALOX5
Hydrochloric Acid SCHEMBL9493052 0.78 EPOR (0.46) ALDH1A1HPGDSMN1; SMN2EPORALOX5
Hydrochloric Acid SCHEMBL9492580 0.78 EPOR (0.46) ALDH1A1HPGDSMN1; SMN2EPORALOX5
SCHEMBL23244710 0.77 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2ALOX5PTGS1
SCHEMBL2770484 0.77 RELA (0.61) RELA
SCHEMBL11217503 0.77 HPGD (0.55) ALDH1A1HPGDSMN1; SMN2ALOX5TERT

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 6 patents. 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
EP-0279531-A2 Process and intermediates for the preparation of insecticidally active compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 — — EP claimed
EP-0279531-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF INSECTICIDALLY ACTIVE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-10 — — EP disclosed
US-5081273-A PROCESS FOR THE PREPARATION OF INSECTICIDALLY ACTIVE DIPHENYL ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 — — US disclosed
US-4942264-A WITTIG REACTION FOLLOWED BY REDUCTION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-17 — — US disclosed
EP-0279531-A2 Process and intermediates for the preparation of insecticidally active compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 — — EP disclosed
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