SCHEMBL28990776

SCHEMBL28990776

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
POLB P06746 3/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL28041589 0.90 ABCB1 (0.37) ABCB1POLBTSHRCYP3A4CYP2C9
SCHEMBL28041542 0.87 POLB (0.38) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28041541 0.82 KDM4E (0.36) ABCB1POLBNPC1RAB9ATSHR
SCHEMBL28990602 0.79 POLB (0.34) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL27992397 0.78 POLB (0.39) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28041744 0.77 CASP1 (0.40) RAB9AMEN1KMT2AALDH1A1
SCHEMBL28041751 0.77 GAA (0.40) ABCB1POLBMEN1KMT2AALDH1A1
SCHEMBL20554973 0.75 CNR2 (0.38) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL28990777 0.72 CNR2 (0.44) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL16054823 0.72 KEAP1 (0.37) TSHRCYP2C9CYP2C19HPGDKMT2A

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-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