SCHEMBL6881282

SCHEMBL6881282

CC(C)(O)CCC(=O)NCCc1cccc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL6879522 0.88 ALDH1A1 (0.45) POLBHPGDMTNR1AMTNR1BALDH1A1
SCHEMBL6881287 0.76 MEN1 (0.46) POLBHPGDALDH1A1
SCHEMBL6171029 0.75 HDAC1 (0.41) MTNR1AMTNR1B
SCHEMBL2635979 0.74 CYP4F2 (0.50) TAAR1CA1
SCHEMBL6879713 0.74 FFAR1 (0.45) HPGDALDH1A1TAAR1CA1CA2
SCHEMBL25379733 0.73 SMN1; SMN2 (0.46) POLBHPGDALDH1A1
SCHEMBL18294034 0.73 AOC2 (0.47) POLBALDH1A1
SCHEMBL8008498 0.73 RAB9A (0.50)
SCHEMBL3235704 0.73 CYP1A2 (0.49) CA1
SCHEMBL27721793 0.72 PPARA (0.39) MTNR1AMTNR1BALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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