SCHEMBL28403503

SCHEMBL28403503

CCCCc1ccc(OP(O)Oc2ccc(CCCC)c(C(C)(C)C)c2)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
▸ CNR2 P34972 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 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
▸ F2R P25116 2/20 0.32

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
SCHEMBL29287253 0.91 TYR (0.38) TYRGAAXBP1ATMNPSR1
SCHEMBL30371668 0.79 CA2 (0.39) TYRGAAXBP1ATMNPSR1
SCHEMBL28390732 0.79 ALOX5 (0.45) TYRTSHRCNR2MEN1KMT2A
SCHEMBL28677421 0.77 TYR (0.41) TYRS1PR1TSHRMEN1KMT2A
SCHEMBL14850388 0.77 S1PR1 (0.40) TYRGAAXBP1ATMNPSR1
SCHEMBL27537800 0.74 TYR (0.62) TYRGAATSHRMEN1KMT2A
SCHEMBL28392941 0.72 HSPA5 (0.41) TYRGAAXBP1ATMNPSR1
SCHEMBL22284270 0.71 NPSR1 (0.37) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28378039 0.71 CA1 (0.48) GAAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL28366599 0.71 NPC1 (0.38) NPSR1S1PR1HTT

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-111087802-A Wear-resistant composite material and preparation method thereof 江苏集萃先进高分子材料研究所有限公司 2020-05-01 — — CN disclosed
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