SCHEMBL6879713

SCHEMBL6879713

CC(C)(O)CCC(=O)NCCc1cccc(OCc2ccc(CC(=O)O)c(CC(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6156495 0.81 BCHE (0.49) FFAR1ALDH1A1KMT2A
SCHEMBL6156190 0.80 BCHE (0.48) FFAR1ALDH1A1KMT2A
SCHEMBL6156109 0.76 CFD (0.39) FFAR1
SCHEMBL21734283 0.74 HPGD (0.59) FFAR1HPGDCYP2D6TAAR1
SCHEMBL6881282 0.74 POLB (0.43) HPGDTAAR1CA1CA2ALDH1A1
SCHEMBL6156545 0.74 BCHE (0.47) FFAR1ALDH1A1KMT2A
SCHEMBL6156500 0.73 MTNR1A (0.42)
SCHEMBL6157274 0.73 BCHE (0.47) ALDH1A1KMT2A
SCHEMBL6156203 0.72 MTNR1A (0.42)
SCHEMBL10960772 0.72 HPGD (0.63) FFAR1HPGDCYP2D6TAAR1CA1

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