SCHEMBL28360526

SCHEMBL28360526

CCOc1[c]cccc1.[BiH3]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LTA4H P09960 1/20 0.38
NQO1 P15559 1/20 0.37
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPRC P08575 1/20 0.32
CDC25B P30305 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL49802 0.98
SCHEMBL22587925 0.96 ALDH1A1 (0.38) ALDH1A1LTA4HNQO1RELAL3MBTL1
SCHEMBL28739846 0.96 ALDH1A1 (0.38) ALDH1A1LTA4HNQO1RELAL3MBTL1
SCHEMBL2499529 0.82 LTA4H (0.34) ALDH1A1LTA4HNQO1RELA
SCHEMBL126227 0.81 ALDH1A1 (0.34) ALDH1A1LTA4HMAPTCYP1A2CYP2C19
SCHEMBL2449865 0.80 L3MBTL1 (0.38) ALDH1A1L3MBTL1MAPTNPSR1TDP1
SCHEMBL6238419 0.79 JAK2 (0.33) ALDH1A1MAPTTDP1
SCHEMBL49991 0.79 LTA4H (0.46) ALDH1A1LTA4HL3MBTL1MAPTTDP1
SCHEMBL9668507 0.79 SMN1; SMN2 (0.36) ALDH1A1LTA4HL3MBTL1MAPTNPSR1
SCHEMBL15009704 0.79 LTA4H (0.58) ALDH1A1LTA4HNQO1RELAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845938-B Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2021-11-19 CN claimed
CN-110845938-A Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2020-02-28 CN claimed
CN-110845938-B Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2021-11-19 CN disclosed
CN-110845938-B Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2021-11-19 CN disclosed
CN-110845938-A Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2020-02-28 CN disclosed
CN-110845938-A Toughening modified water-based epoxy resin waterproof coating and preparation method thereof 陕西纺织器材研究所 2020-02-28 CN disclosed