SCHEMBL6879522

SCHEMBL6879522

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL6881282 0.88 POLB (0.43) ALDH1A1POLBHPGDMTNR1AMTNR1B
SCHEMBL6171029 0.76 HDAC1 (0.41) MTNR1AMTNR1B
SCHEMBL27721793 0.76 PPARA (0.39) ALDH1A1MTNR1AMTNR1B
SCHEMBL6879525 0.75 MEN1 (0.47) ALDH1A1KMT2APOLBHPGD
SCHEMBL2635979 0.75 CYP4F2 (0.50) TAAR1
SCHEMBL25379733 0.74 SMN1; SMN2 (0.46) ALDH1A1KMT2APOLBHPGD
SCHEMBL18294034 0.74 AOC2 (0.47) ALDH1A1KMT2APOLB
SCHEMBL8008498 0.74 RAB9A (0.50)
SCHEMBL3235704 0.73 CYP1A2 (0.49)
SCHEMBL19745618 0.73 CA12 (0.40) TAAR1

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