SCHEMBL7906995

SCHEMBL7906995

COc1cccc(CCCCCOCc2ccc(C(=O)O)c(-c3ccccc3C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LPAR1 Q92633 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BRS3 P32247 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FABP4 P15090 1/20 0.41
AKR1C3 P42330 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
SCHEMBL7907021 0.91 TDP1 (0.47) TDP1L3MBTL1RAB9AHDAC1HDAC6
SCHEMBL7906935 0.87 FFAR1 (0.44) TDP1L3MBTL1PDE4APDE4BPDE4C
SCHEMBL7907246 0.82 FNTA (0.61) FNTAFNTB
SCHEMBL7910541 0.81 FNTA (0.62) FNTAFNTB
SCHEMBL7904965 0.80 FFAR1 (0.40) TDP1L3MBTL1RAB9AFNTAFNTB
Lithium Ion SCHEMBL7904998 0.80 FNTA (0.70) FNTAFNTB
SCHEMBL7904993 0.79 KMT2A (0.46) RAB9AFNTAFNTBPPARGPPARA
SCHEMBL7904559 0.76 MYC (0.43) RAB9ALPAR1FNTAFNTBPPARG
SCHEMBL7905174 0.74 PPARG (0.40) RAB9AFNTAFNTBPPARGPPARA
SCHEMBL7897863 0.74 FFAR1 (0.47) FFAR1FFAR4

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-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