SCHEMBL30887385

SCHEMBL30887385

CCOc1ccc(C(=O)[C@H](O)c2ccc(OCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.56
▸ RAB9A P51151 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ PLK1 P53350 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLA2G4B P0C869 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CES2 O00748 2/20 0.49
▸ CES1 P23141 2/20 0.49
▸ NQO1 P15559 1/20 0.48

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
SCHEMBL2299624 1.00 PARP10 (0.56) PARP10RAB9ALMNAHTTPAX8
SCHEMBL11557533 0.87 TP53 (0.55) SMN1; SMN2TSHRPLA2G4BL3MBTL1
SCHEMBL11373785 0.87 L3MBTL1 (0.55) RAB9ALMNASMN1; SMN2PLK1HPGD
Benzoin SCHEMBL8853271 0.85 LMNA (0.66) RAB9ALMNAPAX8SMN1; SMN2NPC1
SCHEMBL6836761 0.83 CES2 (0.46) PARP10RAB9ALMNAHTTPAX8
SCHEMBL23053351 0.82 AKR1C3 (0.55) PARP10LMNASMN1; SMN2NPC1PLK1
SCHEMBL9195223 0.82 AKR1C3 (0.55) PARP10LMNASMN1; SMN2NPC1PLK1
SCHEMBL9427862 0.82 AKR1C3 (0.55) PARP10LMNASMN1; SMN2NPC1PLK1
SCHEMBL28799901 0.82 PARP10 (0.59) PARP10RAB9ALMNAHTTPAX8
Ether SCHEMBL158383 0.82 CA1 (0.47) RAB9AHTTSMN1; SMN2NPC1HPGD

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-118005543-A Electrolyte additive and preparation method and application thereof 蜂巢能源科技股份有限公司 2024-05-10 — — CN claimed
CN-118005543-B Electrolyte additive and preparation method and application thereof 蜂巢能源科技股份有限公司 2024-07-09 — — CN disclosed
CN-118005543-A Electrolyte additive and preparation method and application thereof 蜂巢能源科技股份有限公司 2024-05-10 — — CN disclosed
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