SCHEMBL6155258

SCHEMBL6155258

CCOCOCc1cc(CO)cc(OCOCC)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
DAO P14920 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL16035693 0.91 CYP4F2 (0.36) ACHEDAOCYP4F2CYP4A11GPBAR1
SCHEMBL6156485 0.88 CYP4F2 (0.36) ACHEDAOCYP4F2CYP4A11GPBAR1
SCHEMBL6157821 0.83 ALDH1A1 (0.31) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19535070 0.80 ACHE (0.44) ACHEDAOCYP4F2CYP4A11ALDH1A1
SCHEMBL6155465 0.78 MRGPRX4 (0.46) RAB9ASMN1; SMN2
SCHEMBL16033984 0.77 NQO1 (0.34) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6156178 0.76 ALDH1A1 (0.36) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6881489 0.76 KDM4E (0.41) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5236102 0.76 NQO1 (0.46) ACHEDAOCYP4F2CYP4A11ALDH1A1
SCHEMBL23907102 0.74 LTA4H (0.36) CYP4F2CYP4A11ALDH1A1SMN1; SMN2PRSS1

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 4 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
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