SCHEMBL14569489

SCHEMBL14569489

CC(=O)N1CCCC1c1cccc(CCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.47
▸ RIPK1 Q13546 2/20 0.46
▸ ADAM17 P78536 2/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.41
▸ SIGMAR1 Q99720 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ PTEN P60484 1/20 0.40
▸ PTPMT1 Q8WUK0 1/20 0.40

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
SCHEMBL14610825 0.88 EPHX2 (0.46) EPHX2RIPK1ADAM17TMEM97SIGMAR1
SCHEMBL14569487 0.87 EPHX2 (0.45) EPHX2RIPK1ADAM17
SCHEMBL14557696 0.85 EPHX2 (0.43) EPHX2RIPK1ADAM17TMEM97SIGMAR1
SCHEMBL14569486 0.85 HRH3 (0.50) EPHX2RIPK1HRH3HPGDSMN1; SMN2
SCHEMBL14569571 0.80 KDM4E (0.44) RIPK1ADAM17HRH3HPGD
SCHEMBL17454944 0.78 RIPK1 (0.69) EPHX2RIPK1HSP90AA1HSP90AB1POLB
SCHEMBL8275419 0.78 RIPK1 (0.69) EPHX2RIPK1HSP90AA1HSP90AB1POLB
SCHEMBL14558757 0.78 TMEM97 (0.47) EPHX2RIPK1ADAM17TMEM97SIGMAR1
SCHEMBL14569804 0.78 EPHX2 (0.38) EPHX2RIPK1ADAM17
SCHEMBL14569488 0.78 EPHX2 (0.40) EPHX2RIPK1ADAM17TMEM97SIGMAR1

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
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 EPHX2 3415/4885RIPK1 4081/4885ADAM17 2204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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