SCHEMBL9421084

SCHEMBL9421084

O=C(O)CC(=O)CC(O)C=CC=C1c2ccccc2CSc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41

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
SCHEMBL9421081 1.00 LMNA (0.42) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9421069 0.85 MEN1 (0.33) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9421076 0.85 MEN1 (0.33) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9421078 0.85 MEN1 (0.33) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL10532639 0.73 RXRA (0.40) LMNAHTTALDH1A1MAPTGAA
SCHEMBL9421054 0.73 RXRA (0.40) LMNAHTTALDH1A1MAPTGAA
SCHEMBL10584331 0.73 RXRA (0.40) LMNAHTTALDH1A1MAPTGAA
SCHEMBL9421063 0.73 RXRA (0.40) LMNAHTTALDH1A1MAPTGAA
SCHEMBL9421102 0.71 ALDH1A1 (0.50) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9579906 0.71 ALDH1A1 (0.50) LMNASMN1; SMN2HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 — — US disclosed
US-5151545-A 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1992-09-29 — — US disclosed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 — — EP disclosed
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