SCHEMBL28607402

SCHEMBL28607402

O=C(O)CCOc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
S1PR5 Q9H228 10/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
PNMT P11086 1/20 0.43
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
CD69 Q07108 1/20 0.41
FFAR4 Q5NUL3 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
Butyric Acid SCHEMBL28425493 0.87 S1PR5 (0.51) LMNAS1PR5NPC1RAB9APTGDR2
SCHEMBL10736267 0.87 CD69 (0.53) NPC1RAB9APNMTPTGDR2CD69
SCHEMBL30234103 0.85 LMNA (0.46) LMNAS1PR5NPC1RAB9APNMT
SCHEMBL8068048 0.83 PNMT (0.46) LMNANPC1RAB9APNMTHTR7
Methacrylic Acid SCHEMBL29066041 0.80 NPC1 (0.44) LMNANPC1RAB9A
Methacrylic Acid SCHEMBL29066040 0.80 NPC1 (0.44) LMNAS1PR5NPC1RAB9APNMT
SCHEMBL5749931 0.80 PNMT (0.54) LMNANPC1RAB9APNMTHTR7
SCHEMBL28088610 0.79 PNMT (0.45) S1PR5NPC1RAB9APNMTHTR7
SCHEMBL5748197 0.79 PNMT (0.53) LMNAS1PR5NPC1RAB9ARXRA
SCHEMBL4126147 0.79 MEN1 (0.46) LMNANPC1RAB9ACD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166390-B Thermoplastic resin for lens and lens comprising same 帝人株式会社 2023-04-04 CN disclosed
CN-113166390-A Thermoplastic resin for lens and lens comprising same 帝人株式会社 2021-07-23 CN disclosed