SCHEMBL7905711

SCHEMBL7905711

CC(C)(C)OC[C@@H](O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ CTSK P43235 3/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSH P09668 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 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
SCHEMBL7905716 1.00 MAPK1 (0.42) MAPK1CTSKCTSSCTSLCTSB
SCHEMBL19700566 0.98 MAPK1 (0.43) MAPK1CTSKCTSSCTSLCTSB
SCHEMBL25609899 0.98 MAPK1 (0.43) MAPK1CTSKCTSSCTSLCTSB
SCHEMBL25609901 0.98 MAPK1 (0.43) MAPK1CTSKCTSSCTSLCTSB
SCHEMBL16001425 0.76 HTT (0.44) MAPK1MEN1KMT2A
SCHEMBL13492155 0.76 HTT (0.44) MAPK1MEN1KMT2A
SCHEMBL16001429 0.76 HTT (0.44) MAPK1MEN1KMT2A
SCHEMBL16001433 0.76 HTT (0.44) MAPK1MEN1KMT2A
SCHEMBL7897780 0.76 SMN1; SMN2 (0.33) CTSKCTSSCTSLCTSBCTSH
SCHEMBL7897784 0.76 SMN1; SMN2 (0.33) CTSKCTSSCTSLCTSBCTSH

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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 — — US disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 — — WO disclosed
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