SCHEMBL9876280

SCHEMBL9876280

COc1ccccc2ccc(C)c1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SYK P43405 2/20 0.48
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL9446206 0.89 SYK (0.50) CA1CA2CA7CA9CA12
SCHEMBL28245634 0.80 ALDH1A1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL355567 0.79 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL11249754 0.79 PDE4A (0.41) CA1CA2CA7CA9CA12
SCHEMBL8335880 0.79 FABP3 (0.43) CA1CA2CA7CA9CA12
Water SCHEMBL28136778 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL30310852 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
Phosphine SCHEMBL27891320 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
Benzene SCHEMBL28977457 0.77 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL548076 0.77 CA1 (0.52) CA1CA2CA7CA9CA12

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed