SCHEMBL28614949

SCHEMBL28614949

CCOc1cc(-c2ccccc2)c(OCC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.47
▸ ADORA2A P29274 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL29025187 0.80 SLC2A1 (0.50) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28384098 0.78 ALOX5 (0.44) ADORA1ADORA2AADORA3ALDH1A1MAPT
SCHEMBL28049521 0.77 ALDH1A1 (0.46) ADORA1ADORA2AADORA3ALDH1A1MAPT
SCHEMBL12604011 0.77 HTT (0.47) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19809195 0.76 SLC2A1 (0.50) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL29779703 0.76 SLC2A1 (0.50) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19612386 0.76 SYK (0.52) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL30504004 0.76 SYK (0.52) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12603983 0.76 L3MBTL1 (0.44) ADORA1ADORA2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19612421 0.75 LTA4H (0.49) ADORA1ADORA2AALDH1A1MAPTSYK

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-113260516-A Thermosensitive recording medium 株式会社理光 2021-08-13 — — CN disclosed
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