SCHEMBL27223880

SCHEMBL27223880

CC(CO)(CO)CO.CCCCOc1cc(C=O)ccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.44
▸ ALDH1A1 P00352 11/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 6/20 0.39
▸ MAPT P10636 5/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ APP P05067 1/20 0.37
▸ TRIM24 O15164 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
SCHEMBL26908625 0.89 FDPS (0.54) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL27223839 0.88 FDPS (0.43) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL15087786 0.84 FDPS (0.53) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL28271354 0.83 FDPS (0.51) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL27821639 0.83 FDPS (0.51) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL18886645 0.83 FDPS (0.51) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL29184154 0.83 FDPS (0.51) FDPSALDH1A1NPSR1CYP2C9NPC1
SCHEMBL26908575 0.82 ALDH1A1 (0.53) FDPSALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28965219 0.81 FDPS (0.56) FDPSALDH1A1NPSR1CYP2C9HPGD
SCHEMBL22160238 0.80 FDPS (0.56) FDPSALDH1A1NPSR1CYP2C9NPC1

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
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 — — US disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 — — CN disclosed
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