SCHEMBL28041722

SCHEMBL28041722

CC(C)=CCc1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
HTT P42858 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
DHODH Q02127 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
RPS6KA3 P51812 1/20 0.39
GLO1 Q04760 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CYP1A2 P05177 3/20 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
SCHEMBL8661726 0.84 XPO1 (0.49) XPO1HTTMEN1KMT2ADHODH
SCHEMBL6474057 0.80 AKR1C3 (0.43) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL6474065 0.80 AKR1C3 (0.43) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL3361792 0.78 PTGS1 (0.42) XPO1HTTMEN1KMT2ADHODH
SCHEMBL2961732 0.77 XPO1 (0.44) XPO1TAAR1HTTMEN1KMT2A
SCHEMBL381979 0.77 XPO1 (0.44) XPO1HTTMEN1KMT2ADHODH
SCHEMBL1967302 0.77 HTT (0.53) XPO1TAAR1IDO1HTTMEN1
SCHEMBL28803517 0.76 TAAR1 (0.46) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL11127533 0.75 TSHR (0.43) XPO1TAAR1IDO1HTTMEN1
SCHEMBL28250552 0.75 AKR1C3 (0.44) XPO1TAAR1IDO1HTTMEN1

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-111419830-A Phenylalkylcarbamate compounds for use in the prevention or treatment of epilepsy and epilepsy-related syndromes 比皮艾思药物研发有限公司 2020-07-17 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