SCHEMBL12849238

SCHEMBL12849238

COCC(C)CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.36
▸ CTSL P07711 5/20 0.34
▸ CTSB P07858 5/20 0.34
▸ CTSH P09668 4/20 0.33
▸ CYP1A2 P05177 1/20 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
SCHEMBL1911353 1.00 CTSK (0.36) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL13908677 0.89 — —
SCHEMBL3155857 0.81 CYP1A2 (0.40) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL8605603 0.81 CTSK (0.38) CTSKCTSLCTSBCTSH
SCHEMBL16824140 0.80 CTSK (0.33) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL1911130 0.79 CYP1A2 (0.34) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL13889045 0.79 CYP1A2 (0.34) CTSKCTSLCTSBCTSHCYP1A2
SCHEMBL13002262 0.78 PRMT5 (0.33) —
SCHEMBL90350 0.77 DPP4 (0.36) CTSK
SCHEMBL90271 0.77 DPP4 (0.36) CTSK

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
WO-2012167309-A1 MACROMOLECULES STARPHARMA PTY LTD (AU) 2012-12-13 — — WO disclosed
US-7906520-B2 Reducing expression of tetrahydrobiopterin (BH4) biological activity; traumatic, metabolic or toxic peripheral nerve lesions THE GENERAL HOSPITAL CORPORATION (US) 2011-03-15 — — US disclosed
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