SCHEMBL8804638

SCHEMBL8804638

Cc1ccc(CCCC2CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH1 P35367 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IGF1R P08069 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37

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
SCHEMBL19321713 0.88 CYP1A2 (0.45) MEN1KMT2ACYP1A2CYP2A6TAAR1
SCHEMBL8804326 0.88 CYP1A2 (0.45) MEN1KMT2ACYP1A2CYP2A6TAAR1
SCHEMBL8803735 0.85 MEN1 (0.47) MEN1KMT2ATAAR1ALDH1A1THRA
SCHEMBL8802944 0.81 MEN1 (0.47) MEN1KMT2ATAAR1
SCHEMBL8804058 0.81 KMT2A (0.47) MEN1KMT2AHRH1CYP1A2TAAR1
SCHEMBL19347555 0.81 ALOX5 (0.51) MEN1KMT2ATAAR1IGF1RALOX15
SCHEMBL8803380 0.80 CALM1 (0.51) MEN1KMT2ATAAR1IGF1RALOX15
SCHEMBL51024 0.80 MEN1 (0.69) MEN1KMT2ATAAR1
SCHEMBL8802834 0.78 MEN1 (0.45) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8803757 0.77 TAAR1 (0.47) MEN1KMT2ATAAR1ALDH1A1

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
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed