SCHEMBL31238043

SCHEMBL31238043

Cc1ccc(S(=O)(=O)N2CC(=Cc3cc(F)cc(F)c3)C(=O)C(=Cc3cc(F)cc(F)c3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ PKM P14618 3/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GPR183 P32249 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HSD11B1 P28845 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
SCHEMBL16769871 0.88 GPR183 (0.52) LMNATHRBPKMMMP2ALDH1A1
SCHEMBL15562263 0.88 GPR183 (0.52) LMNATHRBPKMMMP2ALDH1A1
SCHEMBL15562261 0.88 GPR183 (0.52) LMNATHRBPKMMMP2ALDH1A1
SCHEMBL16755573 0.86 MEN1 (0.54) LMNAPKMMMP2ALDH1A1POLB
SCHEMBL15561391 0.86 MEN1 (0.54) LMNAPKMMMP2ALDH1A1POLB
SCHEMBL19840311 0.86 MEN1 (0.54) LMNAPKMMMP2ALDH1A1POLB
SCHEMBL19840310 0.80 DRD3 (0.50) PKMMMP2ALDH1A1POLBHTT
SCHEMBL16755523 0.80 DRD3 (0.50) PKMMMP2ALDH1A1POLBHTT
SCHEMBL19840309 0.80 ACHE (0.48) LMNAPKMMMP2ALDH1A1POLB
SCHEMBL16755569 0.80 ACHE (0.48) LMNAPKMMMP2ALDH1A1POLB

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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