SCHEMBL6870211

SCHEMBL6870211

c1ccc2c(-c3ccc(COCc4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ PPARG P37231 9/20 0.47
▸ PPARA Q07869 9/20 0.47
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA7 P36544 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ ENPP1 P22413 2/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ TNF P01375 2/20 0.42

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
SCHEMBL3798335 0.82 CA12 (0.62) CA12CA1CA2CA9PPARG
SCHEMBL2491952 0.81 HDAC8 (0.53) CA12CA1CA2CA9PPARG
SCHEMBL27629006 0.81 CA12 (0.54) CA12CA1CA2CA9PPARG
SCHEMBL30122908 0.80 CA12 (0.66) CA12CA1CA2CA9PPARG
SCHEMBL10600163 0.79 CHRNB4 (0.50) CA12CA1CA2CA9PPARG
SCHEMBL20434263 0.78 HDAC8 (0.50) CA12CA1CA2CA9PPARG
SCHEMBL31065555 0.77 IDO1 (0.46) TSHRCYP2C9CYP2C19
SCHEMBL316112 0.77 TNF (0.57) CA12CA1CA2CA9PPARG
SCHEMBL217717 0.76 HDAC8 (0.56) CA12CA1CA2CA9PPARG
SCHEMBL29672402 0.76 HDAC8 (0.56) CA12CA1CA2CA9PPARG

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-20040043902-A1 Heat-sensitive recording material and production method thereof SANKO CO., LTD. (JP) 2004-03-04 — — US claimed
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