SCHEMBL9336808

SCHEMBL9336808

CCOC(COc1ccc(Br)cc1C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL16844563 0.87 ACHE (0.36) AAK1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL29558969 0.87 ACHE (0.36) AAK1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL5009403 0.83 AAK1 (0.45) AAK1ALDH1A1HPGDNPSR1POLB
SCHEMBL30617423 0.83 KDM4E (0.41) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL21497011 0.83 KDM4E (0.41) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL14742073 0.83 TSHR (0.52) AAK1ALDH1A1HPGDNPSR1KDM4E
SCHEMBL2121136 0.83 TSHR (0.39) HPGDKDM4ETDP1SMN1; SMN2KMT2A
SCHEMBL9336779 0.83 KMT2A (0.42) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL257828 0.81 HPGD (0.53) ALDH1A1HPGDNPSR1POLBKDM4E
SCHEMBL20629012 0.80 AAK1 (0.45) AAK1ALDH1A1HPGDNPSR1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357348-B1 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES (JP) 1994-06-08 — — EP claimed
EP-0357348-A2 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES, LTD. (JP) 1990-03-07 — — EP claimed
EP-0357348-B1 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES (JP) 1994-06-08 — — EP disclosed
US-4982008-A Process for preparing p-bromophenoxyacetaldehyde dialkylacetal compounds UBE INDUSTRIES, LTD. (JP) 1991-01-01 — — US disclosed
EP-0357348-A2 Process for preparing p-bromophenoxyacetaldehyde dialkylacetal derivatives UBE INDUSTRIES, LTD. (JP) 1990-03-07 — — EP disclosed
Send feedback