SCHEMBL14569487

SCHEMBL14569487

CC(=O)N1CCCC1c1cccc(CCC(=O)NO)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.45
▸ RIPK1 Q13546 2/20 0.44
▸ HDAC1 Q13547 6/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC8 Q9BY41 3/20 0.43
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ ADAM17 P78536 2/20 0.42
▸ PREP P48147 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
SCHEMBL14610823 0.89 EPHX2 (0.43) EPHX2RIPK1HDAC1HDAC6HDAC2
SCHEMBL14569489 0.87 EPHX2 (0.47) EPHX2RIPK1ADAM17
SCHEMBL14557708 0.86 EPHX2 (0.41) EPHX2RIPK1HDAC1HDAC6HDAC2
SCHEMBL14569804 0.81 EPHX2 (0.38) EPHX2RIPK1ADAM17
SCHEMBL14569488 0.81 EPHX2 (0.40) EPHX2RIPK1ADAM17
SCHEMBL14610825 0.76 EPHX2 (0.46) EPHX2RIPK1ADAM17
SCHEMBL14557696 0.73 EPHX2 (0.43) EPHX2RIPK1ADAM17
SCHEMBL17454944 0.73 RIPK1 (0.69) EPHX2RIPK1
SCHEMBL8275419 0.73 RIPK1 (0.69) EPHX2RIPK1
SCHEMBL14611020 0.72 EPHX2 (0.39) EPHX2RIPK1ADAM17

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 4081/4885HDAC1 1277/4885

“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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