SCHEMBL7047894

SCHEMBL7047894

CC(=O)OC1C=CC(OC(C)(C)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
CHRM3 P20309 4/20 0.34
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
MAPT P10636 1/20 0.34
KCNN4 O15554 1/20 0.33

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
SCHEMBL7047888 1.00 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1POLBKMT2A
SCHEMBL7047885 1.00 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK1POLBKMT2A
SCHEMBL7050025 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KMT2ACHRM3
SCHEMBL7051770 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KMT2ACHRM3
SCHEMBL7051771 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KMT2ACHRM3
SCHEMBL7051369 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KMT2ACHRM3
SCHEMBL7051372 0.78 ALDH1A1 (0.44) ALDH1A1ALOX15MAPK1KMT2ACHRM3
Anisole SCHEMBL7060043 0.75 CA4 (0.47) ALDH1A1POLBKMT2ATSHRMAPT
SCHEMBL11548381 0.75 CA12 (0.42) ALOX15POLBKMT2ATSHRCHRM3
SCHEMBL2290500 0.75 CA12 (0.42) ALOX15POLBKMT2ATSHRCHRM3

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
EP-1086942-B1 Optically active alcohols and processes for the preparation thereof CHISSO CORP (JP) 2003-04-23 EP disclosed
EP-1086942-A1 Optically active alcohols and processes for the preparation thereof CHISSO CORPORATION (JP) 2001-03-28 EP disclosed