SCHEMBL8955686

SCHEMBL8955686

Cc1ccc(OCCCCCCCCO)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTR1A P08908 1/20 0.50
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HPGD P15428 3/20 0.48
GLA P06280 1/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
ATM Q13315 1/20 0.46
MRGPRX4 Q96LA9 1/20 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
SCHEMBL11963241 0.93 SMN1; SMN2 (0.53) ALDH1A1KDM4ESMN1; SMN2HTR1AHTT
SCHEMBL9011659 0.91 SMN1; SMN2 (0.57) ALDH1A1KDM4ESMN1; SMN2HTR1AHTT
SCHEMBL9011602 0.91 SMN1; SMN2 (0.57) ALDH1A1KDM4ESMN1; SMN2HTR1AHTT
SCHEMBL9011867 0.89 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2HTR1AHTT
SCHEMBL30292305 0.87 L3MBTL4 (0.53) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL7056362 0.87 L3MBTL1 (0.55) ALDH1A1KDM4ESMN1; SMN2HTR1AHTT
SCHEMBL14015788 0.84 ESR1 (0.56) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL11956138 0.84 ESR1 (0.56) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL2713160 0.84 ESR1 (0.56) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1
SCHEMBL13308494 0.84 ESR1 (0.56) ALDH1A1KDM4ESMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed