SCHEMBL6881441

SCHEMBL6881441

CCC(O)(CC)CCCCNCc1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CHRM2 P08172 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL6883442 0.97 BCHE (0.52) BCHEKDM4ESMN1; SMN2CHRM2MEN1
SCHEMBL6885228 0.90 BCHE (0.53) BCHEKDM4ESMN1; SMN2CHRM2MEN1
SCHEMBL6878833 0.88 BCHE (0.50) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6886751 0.86 BCHE (0.54) BCHEKDM4ESMN1; SMN2CHRM2MEN1
SCHEMBL6886012 0.85 BCHE (0.51) BCHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6156099 0.83 VDR (0.48) BCHEKDM4ESMN1; SMN2CHRM2
SCHEMBL6157274 0.82 BCHE (0.47) BCHEKDM4ESMN1; SMN2CHRM2MEN1
SCHEMBL6158294 0.81 PDK1 (0.41) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6155122 0.80 VDR (0.48) BCHEKDM4ESMN1; SMN2CHRM2
SCHEMBL6155616 0.79 ALOX5 (0.39) BCHESMN1; SMN2MEN1KMT2A

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 2 patents. 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
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