SCHEMBL9118978

SCHEMBL9118978

C[N+](C)(C)CCOS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ CHRM2 P08172 2/20 0.45
▸ CHRM4 P08173 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ CHRM3 P20309 2/20 0.45
▸ PSIP1 O75475 1/20 0.42
▸ PARL Q9H300 1/20 0.42
▸ CHRNB4 P30926 3/20 0.41
▸ CHRNA3 P32297 3/20 0.41
▸ CHRNA7 P36544 3/20 0.41
▸ CHRNA10 Q9GZZ6 1/20 0.41
▸ CHRNA9 Q9UGM1 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL3449015 0.83 PARL (0.50) PSIP1PARLHTR6ALDH1A1TDP1
SCHEMBL506430 0.83 CA12 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL28623706 0.81 CA12 (0.46) ALDH1A1
SCHEMBL778545 0.80 PSIP1 (0.50) PSIP1PARLHTR6ALDH1A1TDP1
Hydrochloric Acid SCHEMBL11804270 0.80 DNM1 (0.46) CHRM2CHRM1CHRM3ALDH1A1MAPK1
Cetrimonium SCHEMBL31124863 0.80 MLNR (0.44) CHRM2CHRM1CHRM3ALDH1A1MAPK1
SCHEMBL5945104 0.79 PARL (0.47) PSIP1PARLHTR6ALDH1A1TDP1
SCHEMBL14778910 0.79 PARL (0.47) PSIP1PARLHTR6ALDH1A1TDP1
SCHEMBL10643515 0.79 GAA (0.39) SCN1ASCN2ASCN3ACHRM2CHRM4
Ammonia Solution, Strong SCHEMBL23749203 0.78 PSIP1 (0.48) PSIP1PARLHTR6ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 — — CN claimed
CN-105503540-A Method for preparation of benzene ring phenol compound from alkali lignin DALIAN INST CHEMICAL PHYSICS CAS 2016-04-20 — — CN claimed
CN-105315164-A Environment-friendly choline ionic liquid and preparation method therefor DALIAN CHEMICAL PHYSICS INST 2016-02-10 — — CN claimed
WO-1995029923-A1 PROCESS FOR THE PREPARATION OF MONO- AND BIS(PHOSPHOCHOLINE) DERIVATIVES WHICH HAVE ANTIFUNGAL ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1995-11-09 — — WO claimed
CN-119896763-A Pasty biological tissue adhesive capable of being coated and preparation method and application thereof 哈尔滨工业大学 2025-04-29 — — CN disclosed
CN-117069901-A Lignin-based phenolic resin and preparation method thereof 江苏理文造纸有限公司 2023-11-17 — — CN disclosed
CN-105503540-A Method for preparation of benzene ring phenol compound from alkali lignin DALIAN INST CHEMICAL PHYSICS CAS 2016-04-20 — — CN disclosed
CN-105315164-A Environment-friendly choline ionic liquid and preparation method therefor DALIAN CHEMICAL PHYSICS INST 2016-02-10 — — CN disclosed
CN-105315164-A Environment-friendly choline ionic liquid and preparation method therefor DALIAN CHEMICAL PHYSICS INST 2016-02-10 — — CN disclosed
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