SCHEMBL14196409

SCHEMBL14196409

CCC(CC(C)c1ccc(O)cc1)c1ccc(OC(C)OCCCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CALM1 P0DP23 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX5 P09917 1/20 0.31
DEGS1 O15121 1/20 0.31

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
SCHEMBL13406747 0.88 HRH3 (0.36) ESR1ESR2HRH3KCNH2ALDH1A1
SCHEMBL12054779 0.87 ALDH1A1 (0.36) FFAR4HRH3KCNH2ALDH1A1
SCHEMBL16200773 0.81 HRH3 (0.38) HRH3KCNH2ALDH1A1
SCHEMBL825478 0.81 ESR1 (0.33) ESR1ESR2ALDH1A1
SCHEMBL13098465 0.81 ESR1 (0.33) ESR1ESR2ALDH1A1
SCHEMBL14443403 0.81 ALDH1A1 (0.38) FFAR4HRH3KCNH2ALDH1A1
SCHEMBL13098432 0.80 ESR1 (0.39) ESR1ESR2ALDH1A1
SCHEMBL13098455 0.79 FFAR1 (0.38) ESR1ESR2ALDH1A1
SCHEMBL13098469 0.79 ALDH1A1 (0.32) ESR1ESR2ALDH1A1
SCHEMBL17451816 0.78 ALDH1A1 (0.36) FFAR4HRH3KCNH2ALDH1A1

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-20080096130-A1 POSITIVE RESIST COMPOSITION FUJIFILM CORPORATION 2008-04-24 US disclosed