SCHEMBL27953652

SCHEMBL27953652

CCc1cccc(C(=O)OI)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.53
▸ CYP4F2 P78329 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ BCL2 P10415 1/20 0.47
▸ KAT6A Q92794 2/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ SLC7A5 Q01650 2/20 0.45
▸ MEP1B Q16820 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FOLH1 Q04609 1/20 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
SCHEMBL27989486 0.88 CYP4F2 (0.55) LOXL2CYP4F2CYP4A11KAT6ASLC7A5
SCHEMBL9699976 0.85 LOXL2 (0.56) LOXL2CYP4F2CYP4A11BCL2KAT6A
SCHEMBL126284 0.83 LOXL2 (0.74) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL28310978 0.82 ATM (0.46) LOXL2CYP4F2CYP4A11
SCHEMBL22276734 0.82 LOXL2 (0.54) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL13954535 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2KAT6A
SCHEMBL129801 0.81 CYP4F2 (0.71) LOXL2CYP4F2CYP4A11MEP1BSMN1; SMN2
SCHEMBL12814230 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2KAT6A
SCHEMBL13291593 0.81 CYP4F2 (0.62) LOXL2CYP4F2CYP4A11SLC7A5MEP1B
SCHEMBL27595257 0.81 LOXL2 (0.53) LOXL2CYP4F2CYP4A11BCL2KAT6A

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
CN-102186824-B Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2014-03-12 — — CN disclosed
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