SCHEMBL7531427

SCHEMBL7531427

NC(=O)OC1(Cc2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.50
▸ CTSL P07711 4/20 0.50
▸ CTSB P07858 3/20 0.50
▸ LMNA P02545 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ ADRB2 P07550 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL28951054 0.95 CTSK (0.49) CTSKCTSLCTSBLMNACTSS
SCHEMBL1725213 0.84 LMNA (0.41) CTSKCTSLCTSBLMNACTSS
SCHEMBL12831362 0.83 CTSK (0.56) CTSKCTSLCTSBCTSSADRB2
SCHEMBL1881050 0.83 CTSK (0.43) CTSKCTSLCTSBLMNACTSS
SCHEMBL4580949 0.83 CTSK (0.49) CTSKCTSLCTSBLMNACTSS
SCHEMBL4580413 0.83 CTSK (0.49) CTSKCTSLCTSBCTSSADRB2
SCHEMBL20959847 0.82 CTSK (0.52) CTSKCTSLCTSBLMNACTSS
SCHEMBL21061401 0.79 CTSK (0.50) CTSKCTSLCTSBCTSSADRB2
SCHEMBL4580415 0.79 ALDH1A1 (0.49) CTSKCTSLCTSBCTSSADRB2
SCHEMBL4580951 0.79 CTSK (0.46) CTSKCTSLCTSBLMNACTSS

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-0633502-B1 PATTERN FORMING MATERIAL CLARIANT FINANCE BVI LTD (VG) 2002-03-20 — — EP disclosed
US-5691100-A SEMICONDUCTORS HOECHST JAPAN LIMITED (JP) 1997-11-25 — — US disclosed
EP-0633502-A1 PATTERN FORMING MATERIAL HOECHST JAPAN LIMITED (JP) 1995-01-11 — — EP disclosed
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