SCHEMBL28041542

SCHEMBL28041542

CCCC(OC)C(NC(=O)O)c1ccccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33

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
SCHEMBL28990602 0.89 POLB (0.34) POLBRAB9APRSS1CTSGCTRB1
SCHEMBL28990776 0.87 ABCB1 (0.36) POLBPPARGPPARANPC1RAB9A
SCHEMBL27992397 0.82 POLB (0.39) POLBPPARGPPARANPC1RAB9A
SCHEMBL28041589 0.79 ABCB1 (0.37) POLBLMNAMEN1HPGDKMT2A
SCHEMBL20554973 0.79 CNR2 (0.38) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28041750 0.79 KEAP1 (0.37) ALDH1A1LMNAHPGDKMT2ACYP2C9
SCHEMBL16054823 0.79 KEAP1 (0.37) ALDH1A1LMNAHPGDKMT2ACYP2C9
SCHEMBL28990777 0.76 CNR2 (0.44) POLBPPARGPRSS1CTSGCTRB1
SCHEMBL27992292 0.76 TRPA1 (0.37) POLBRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL28990587 0.74 GAA (0.43) POLBALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111419830-B Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epileptic related syndromes 比皮艾思药物研发有限公司 2024-01-30 CN disclosed
CN-115996905-A Phenylalkyl carbamate compounds for use in preventing or treating neurodegenerative diseases 生物药品解决方案有限公司 2023-04-21 CN disclosed
CN-104136416-B Phenylalkylamino carbamate derivatives compound and comprise the pharmaceutical composition of this Phenylalkylamino carbamate derivatives compound 比皮艾思药物研发有限公司 2016-11-09 CN disclosed
CN-105209027-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes BIO PHARM SOLUTIONS CO LTD 2015-12-30 CN disclosed