SCHEMBL9769844

SCHEMBL9769844

CC(CC(C)(C)c1ccccc1)c1cccc(O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
SLC37A4 O43826 1/20 0.40
BID P55957 6/20 0.40
MCL1 Q07820 6/20 0.40
BCL2L1 Q07817 5/20 0.40
BAK1 Q16611 5/20 0.40
KAT8 Q9H7Z6 3/20 0.40
EP300 Q09472 2/20 0.40
KAT5 Q92993 2/20 0.40
SAE1 Q9UBE0 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL9769798 0.85 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9769887 0.82 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL25049929 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL4961934 0.73 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL11138001 0.72 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL23815704 0.72 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL23683089 0.70 KAT8 (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10612345 0.69 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8852918 0.68 TSHR (0.56) CA1CA2TSHR
SCHEMBL1019329 0.68 RIPK1 (0.52) CHRM2CHRM1CHRM3ALOX15

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed