SCHEMBL10881885

SCHEMBL10881885

CC(C)C(=O)c1ccccc1O[Al]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ PDK2 Q15119 1/20 0.41
▸ HPGD P15428 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ GGT1 P19440 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ XBP1 P17861 1/20 0.37
▸ BCL2 P10415 1/20 0.37

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
SCHEMBL4303504 0.82 CTSD (0.55) HPGDHTTALDH1A1XBP1CTSD
SCHEMBL31318924 0.82 CTSD (0.55) HPGDHTTALDH1A1XBP1CTSD
SCHEMBL16674268 0.81 IRAK4 (0.68) IRAK4HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL13204414 0.79 KDM4E (0.65) IRAK4HPGDKDM4EHSD17B10ALDH1A1
SCHEMBL10308375 0.79 PDK2 (0.46) IRAK4PDK2KDM4EALDH1A1TSHR
SCHEMBL10137793 0.78 CTNNB1 (0.61) KDM4EHSD17B10HTTALDH1A1TSHR
SCHEMBL12438201 0.78 SMN1; SMN2 (0.50) IRAK4HPGDKDM4EHTTALDH1A1
SCHEMBL16674479 0.78 HCRTR1 (0.58) HPGDKDM4EHSD17B10HTTALDH1A1
SCHEMBL27860086 0.78 HPGD (0.50) HPGDHTTALDH1A1XBP1CTSD
SCHEMBL27586431 0.77 IRAK4 (0.49) IRAK4HPGDKDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083839-B1 PROCESS FOR PRODUCING INORGANIC FIBER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-03-05 — — EP disclosed
US-4495121-A SPINNING A POLYMETALOXANE, CALCINING SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1985-01-22 — — US disclosed
EP-0083839-A2 Process for producing inorganic fiber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 — — EP disclosed
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