SCHEMBL30375129

SCHEMBL30375129

C[C@H](O)[C@@H](O)c1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL15050878 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL30374984 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050740 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050881 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050738 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL15050737 1.00 TP53 (0.44) TP53HTTLMNAALDH1A1TSHR
SCHEMBL253677 0.83 TP53 (0.59) TP53HTTLMNATSHRHSD17B10
SCHEMBL252437 0.83 TP53 (0.59) TP53HTTLMNATSHRHSD17B10
SCHEMBL29528410 0.83 TP53 (0.59) TP53HTTLMNATSHRHSD17B10
SCHEMBL29528234 0.83 TP53 (0.59) TP53HTTLMNATSHRHSD17B10

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