SCHEMBL6158593

SCHEMBL6158593

CCOc1cc(C=Cc2cccc(CCCCCO)c2)c(OC)c(OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6156369 1.00 TUBB1 (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6155178 0.88 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6158412 0.88 PPARA (0.38) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6887502 0.88 HDAC1 (0.41) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6156490 0.87 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL6154629 0.87 TUBB1 (0.37) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6155536 0.87 CYP19A1 (0.35) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6885251 0.86 CYP4F2 (0.41) CYP4F2CYP4A11KDM4EALDH1A1SMN1; SMN2
SCHEMBL6156398 0.85 CYP19A1 (0.36) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6155189 0.84 TUBB1 (0.39) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed