SCHEMBL9492663

SCHEMBL9492663

CC(C)(c1ccc(OCCF)cc1)c1ccc(OCCF)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ PSMB1 P20618 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ PSMB2 P49721 1/20 0.53
▸ APP P05067 4/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 2/20 0.46

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
SCHEMBL16216287 0.88 KDM4E (0.54) SMN1; SMN2APPMEN1KMT2AALDH1A1
SCHEMBL13567551 0.88 KDM4E (0.54) SMN1; SMN2APPMEN1KMT2AALDH1A1
SCHEMBL17694760 0.83 SMN1; SMN2 (0.53) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL79031 0.83 SMN1; SMN2 (0.68) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL10883892 0.83 SMN1; SMN2 (0.83) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL9818198 0.83 SMN1; SMN2 (0.68) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL10457449 0.82 APP (0.59) APPALDH1A1
SCHEMBL9618310 0.82 SMN1; SMN2 (0.69) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL17912 0.82 KDM4E (0.56) SMN1; SMN2PSMB1PSMB5PSMB2MEN1
SCHEMBL4738149 0.81 SMN1; SMN2 (0.58) SMN1; SMN2PSMB1PSMB5PSMB2MEN1

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
EP-0347227-B1 Pesticidal compositions DU PONT (US) 1993-11-24 — — EP disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 — — US disclosed
US-5135744-A PALATABLE SOLID PESTICIDAL COMPOSITIONS OF ETHYLENE AND VINYL ACETATE COPOLYMER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-04 — — US disclosed
EP-0347227-A1 Pesticidal compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-20 — — EP disclosed
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