SCHEMBL9847762

SCHEMBL9847762

CC(C)(C)c1cc(Oc2ccc(C#N)cc2)c(C(C)(C)C)cc1Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
SLC6A4 P31645 1/20 0.45
KIF11 P52732 1/20 0.43
ICAM1 P05362 2/20 0.42
SELE P16581 2/20 0.42
VCAM1 P19320 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MERTK Q12866 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
CYP19A1 P11511 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL22349700 0.81 AR (0.57) AR
SCHEMBL22349695 0.81 AR (0.47) ARKIF11PARP15PARP10PARP2
SCHEMBL22349702 0.80 AR (0.46) ARSLC6A4KIF11MERTKPARP15
SCHEMBL22349699 0.80 AR (0.46) ARKIF11PARP15PARP10PARP2
SCHEMBL8433560 0.80 KIF11 (0.42) ARSLC6A4KIF11ICAM1SELE
SCHEMBL9847760 0.79 AR (0.50) ARCYP19A1
SCHEMBL8433072 0.78 KIF11 (0.51) ARSLC6A4KIF11CA12CA1
SCHEMBL10001985 0.77 AR (0.44) ARSLC6A4LMNAMEN1POLB
SCHEMBL22349707 0.77 AR (0.50) ARSLC6A4KIF11CA12CA1
SCHEMBL22349701 0.76 KIF11 (0.49) ARSLC6A4KIF11CA12CA1

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
EP-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed