SCHEMBL11432018

SCHEMBL11432018

[CH2]C(O)CCCC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
ACACB O00763 1/20 0.31
ACACA Q13085 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
SCHEMBL11857755 0.95 ACACB (0.38) RIPK1ACACBACACA
SCHEMBL11850505 0.93 ACACB (0.41) RIPK1ACACBACACA
SCHEMBL28413117 0.86
SCHEMBL3370879 0.78 MEN1 (0.33) RIPK1
SCHEMBL5800588 0.77 RIPK1 (0.38) RIPK1ACACBACACA
SCHEMBL14293914 0.77 ACACB (0.48) RIPK1ACACBACACA
SCHEMBL622595 0.75 TRPV1 (0.32)
SCHEMBL1658860 0.74 RIPK1 (0.37) RIPK1ACACBACACA
SCHEMBL25927335 0.74 RIPK1 (0.37) RIPK1ACACBACACA
SCHEMBL25927332 0.74 RIPK1 (0.37) RIPK1ACACBACACA

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
US-4188403-A Cyclopentan-1-amines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-02-12 US disclosed
US-3932487-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-13 US disclosed