SCHEMBL30254552

SCHEMBL30254552

CCOc1c(C)cccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 9/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SCN1A P35498 2/20 0.44
▸ SCN5A Q14524 2/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ KCNK2 O95069 1/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SCN7A Q01118 1/20 0.44

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
SCHEMBL147753 0.87 SCN4A (0.54) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL3790469 0.82 LIPE (0.44) LMNATSHRKCNH2ALDH1A1KDM4E
SCHEMBL29956129 0.81 L3MBTL1 (0.40) LMNASCN8AALDH1A1KDM4EGAA
SCHEMBL3984741 0.81 L3MBTL1 (0.40) LMNASCN8AALDH1A1KDM4EGAA
SCHEMBL3792278 0.81 ALDH1A1 (0.46) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2279409 0.81 PTPN1 (0.55) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL3411399 0.81 L3MBTL1 (0.45) LMNAALDH1A1KDM4EGAAMAPT
SCHEMBL29954831 0.78 LIPE (0.62) SCN4ALMNASCN8AGAAMAPT
SCHEMBL8072909 0.78 ALDH1A1 (0.49) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2944532 0.77 ENPP2 (0.50) SCN4ALMNASCN1ASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115812085-A Dynamic covalent hydrogels, precursors thereof and uses thereof 国家科学研究中心 2023-03-17 — — CN disclosed
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