SCHEMBL4643932

SCHEMBL4643932

[CH2]CC(=O)Oc1ccc(C=O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
TSHR P16473 1/20 0.62
FDPS P14324 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
TOP2A P11388 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
AOX1 Q06278 1/20 0.53
TRIM24 O15164 1/20 0.53
HPGD P15428 1/20 0.53
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
NFE2L2 Q16236 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4644347 0.88 ALDH1A1 (0.58) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4090523 0.88 ALDH1A1 (0.66) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL891572 0.86 FGFR1 (0.65) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4645057 0.86 ALDH1A1 (0.64) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4643811 0.86 ALDH1A1 (0.55) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31756896 0.85 TOP2A (0.63) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL31096971 0.85 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL4642389 0.85 TOP2A (0.71) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL27869198 0.85 ALDH1A1 (0.62) ALDH1A1TSHRFDPSKDM4EMAPT
SCHEMBL13765412 0.84 ALDH1A1 (0.57) ALDH1A1TSHRFDPSKDM4EMAPT

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed