SCHEMBL7905474

SCHEMBL7905474

COC(=O)c1ccc(C(OC)c2ccco2)cc1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
MAPK1 P28482 3/20 0.37
SLC6A2 P23975 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
CFTR P13569 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL7903832 0.79 MAPT (0.38) SLC6A3SLC6A4SLC6A2RAB9AMAPT
SCHEMBL7906920 0.79 FNTA (0.55)
SCHEMBL7903812 0.78 SLC6A3 (0.35) SLC6A3SLC6A4SLC6A2POLBMAPT
SCHEMBL2267132 0.72 SLC6A3 (0.51) SLC6A3SLC6A4SLC6A2POLBMAPT
SCHEMBL22256464 0.72 MAPT (0.47) SLC6A3SLC6A4SLC6A2MAPTMITF
SCHEMBL7570354 0.72 KDM4E (0.53) SLC6A3SLC6A4SLC6A2RAB9AMAPT
SCHEMBL628505 0.71 APP (0.43) SLC6A3SLC6A4SLC6A2MAPTMITF
SCHEMBL7905477 0.71 FNTA (0.49) MAPK1KDM4E
SCHEMBL9549 0.71 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2POLBMAPT
SCHEMBL628811 0.71 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2POLBMAPT

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