SCHEMBL6883442

SCHEMBL6883442

CCC(O)(CC)CCCNCc1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL6881441 0.97 BCHE (0.51) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6886751 0.89 BCHE (0.54) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6886012 0.88 BCHE (0.51) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6885228 0.86 BCHE (0.53) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6878833 0.85 BCHE (0.50) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6158294 0.84 PDK1 (0.41) KDM4ESMN1; SMN2MEN1KMT2ATHRB
SCHEMBL6155122 0.82 VDR (0.48) BCHEKDM4ESMN1; SMN2CHRM2TP53
SCHEMBL6156545 0.81 BCHE (0.47) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6888584 0.81 KMT2A (0.42) BCHESMN1; SMN2MEN1KMT2ATP53
SCHEMBL2785504 0.80 CYSLTR2 (0.40) BCHESMN1; SMN2MEN1KMT2ATP53

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 claimed