SCHEMBL6154966

SCHEMBL6154966

CCOCOc1cc(C=Cc2cccc(C=CCCC=O)c2)cc(OCOCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ESR1 P03372 2/20 0.39
AHR P35869 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 2/20 0.37
BCR P11274 2/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 2/20 0.36
RELA Q04206 1/20 0.36
PPARD Q03181 2/20 0.35
ABCB1 P08183 1/20 0.34
PTPN1 P18031 1/20 0.34
LCK P06239 1/20 0.34
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL6154955 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6155417 0.93 CHRM2 (0.38) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6155406 0.93 CHRM2 (0.38) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6155578 0.84 KDM4E (0.44) ESR1AHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6155585 0.84 KDM4E (0.44) ESR1AHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL6154797 0.84 ABL1 (0.39) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6154783 0.84 ABL1 (0.39) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6155196 0.83 ABL1 (0.38) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6155185 0.83 ABL1 (0.38) CHRM2CHRM1CHRM3ESR1AHR
SCHEMBL6887226 0.82 KDM4E (0.40) CHRM2CHRM1CHRM3ESR1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed