SCHEMBL9769821

SCHEMBL9769821

CC(C)(c1ccccc1)c1cccc(-c2cccc(O)c2C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.55
CNR1 P21554 4/20 0.55
PTPN5 P54829 4/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
FOLH1 Q04609 2/20 0.38
MCL1 Q07820 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL9769804 0.88 RXRA (0.55) CNR2CNR1PTPN5CA12CA1
SCHEMBL9769811 0.83 CA12 (0.42) CNR2CNR1PTPN5CA12CA1
SCHEMBL30416166 0.81 CNR1 (0.62) CNR2CNR1PTPN5ESR1ESR2
SCHEMBL3264678 0.79 CA12 (0.64) CA12CA1CA2CA7CA9
Biphenyl SCHEMBL5316961 0.76 KMO (0.61) CA12CA1CA2CA7CA9
SCHEMBL5697819 0.75 ACMSD (0.67) CNR2CNR1RXRARXRBMCL1
SCHEMBL4368940 0.75 FOLH1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL9769927 0.74 CA1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL10046425 0.74 CA12 (0.80) CA12CA1CA2CA7CA9
SCHEMBL30375523 0.74 KDM1A (0.59) CA12CA1CA2CA7CA9

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