SCHEMBL6156490

SCHEMBL6156490

CCOc1cc(C=Cc2cccc(CCCCC(=O)O)c2)c(OC)c(OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
ALOX5 P09917 1/20 0.40
PPARA Q07869 4/20 0.40
PPARG P37231 2/20 0.40
FFAR1 O14842 1/20 0.40
PPARD Q03181 1/20 0.40
AKR1C3 P42330 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
BCHE P06276 1/20 0.36

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
SCHEMBL6155178 0.99 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2S1PR1ALOX5
SCHEMBL6885251 0.91 CYP4F2 (0.41) KDM4EALDH1A1SMN1; SMN2S1PR1ALOX5
SCHEMBL6887502 0.91 HDAC1 (0.41) KDM4EALDH1A1SMN1; SMN2S1PR1ALOX5
SCHEMBL6158593 0.87 TUBB1 (0.38) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156369 0.87 TUBB1 (0.38) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6156399 0.86 LTB4R (0.48) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6154629 0.86 TUBB1 (0.37) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6158412 0.85 PPARA (0.38) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6155446 0.85 LTB4R (0.44) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6155581 0.83 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed