SCHEMBL29287253

SCHEMBL29287253

CCCCc1ccc(OP(O)O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ S1PR1 P21453 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ CA1 P00915 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
SCHEMBL28403503 0.91 TYR (0.38) TYRGAAXBP1ATMNPSR1
SCHEMBL28392941 0.81 HSPA5 (0.41) TYRGAAXBP1ATMNPSR1
SCHEMBL22284270 0.80 NPSR1 (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28413644 0.79 CA2 (0.39) TYRGAAXBP1ATMNPSR1
SCHEMBL28677421 0.77 TYR (0.41) TYRS1PR1TSHRALDH1A1MAPT
SCHEMBL28362638 0.77 TYR (0.45) TYRTSHRMAPTMEN1KMT2A
SCHEMBL28791134 0.77 KCNH2 (0.38) ALOX15PLA2G4AESR1CYP19A1ESR2
SCHEMBL14850388 0.77 S1PR1 (0.40) TYRGAAXBP1ATMNPSR1
SCHEMBL27537800 0.74 TYR (0.62) TYRGAATSHRALDH1A1MAPT
SCHEMBL28433547 0.73 ALDH1A1 (0.56) TYRGAAXBP1ATMNPSR1

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-109206578-A A kind of energy-absorbing method based on hybrid cross-linked dynamic aggregation object 翁秋梅 2019-01-15 — — CN disclosed
CN-109207110-A A kind of hybrid cross-linked dynamic aggregation object 翁秋梅 2019-01-15 — — CN disclosed
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