SCHEMBL31043063

SCHEMBL31043063

O=C(C(S)c1ccccc1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.43
▸ CYP2D6 P10635 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ OPRK1 P41145 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MME P08473 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ ACP3 P15309 1/20 0.37
▸ TACR1 P25103 1/20 0.37

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
SCHEMBL22351001 0.78 SRC (0.56) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL1481215 0.75 CES1 (0.59) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL12862687 0.75 CES1 (0.43) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL1033377 0.75 PTGS2 (0.47) CES1CYP2D6SRC
SCHEMBL74366 0.75 SRC (0.56) CES1CYP2D6SRCLMNAMAPK1
Chloromethane SCHEMBL27726358 0.74 SRC (0.50) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL27913889 0.73 CYP2D6 (0.48) CES1CYP2D6SRCLMNAMAPK1
Hydrochloric Acid SCHEMBL8340022 0.73 SRC (0.54) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL2082953 0.72 SRC (0.48) CES1CYP2D6SRCLMNAMAPK1
SCHEMBL22311877 0.72 ESR1 (0.49) CES1CYP2D6SRCLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122043753-A Modularized photochromic diffraction waveguide AR (augmented reality) glasses system integrating environment sensing 广东谷东智能科技有限公司 2026-05-15 — — CN claimed
EP-3126376-B1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS UNIV MONASH (AU) 2024-08-21 — — EP claimed
CN-122043753-A Modularized photochromic diffraction waveguide AR (augmented reality) glasses system integrating environment sensing 广东谷东智能科技有限公司 2026-05-15 — — CN disclosed
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