SCHEMBL7743971

SCHEMBL7743971

N#CCc1c(OCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGER1 P34995 8/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ATP4A P20648 1/20 0.45
ATP4B P51164 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTGER4 P35408 5/20 0.45

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
SCHEMBL11857664 0.85 MAPK1 (0.45) RXRARXRBRXRGMAPK1MAPT
SCHEMBL8406800 0.82 MAPK1 (0.47) MAPK1MAPTTDP1L3MBTL1MEN1
SCHEMBL6036331 0.82 MAPK1 (0.51) RXRAMAPK1MAPTTDP1L3MBTL1
SCHEMBL8874717 0.81 SQOR (0.57) RXRARXRBRXRGMAPK1MAPT
SCHEMBL201074 0.78 RXRA (0.70) RXRARXRBRXRGMAPK1MAPT
SCHEMBL5380662 0.78 LMNA (0.42) MAPK1TDP1ALDH1A1LMNA
SCHEMBL8406051 0.76 SGMS2 (0.54) MAPK1MAPTTDP1L3MBTL1MEN1
SCHEMBL11857656 0.76 MAPK1 (0.45) MAPK1MAPTTDP1L3MBTL1PTGER1
SCHEMBL3150720 0.76 HTR1A (0.61) MAPK1MAPTTDP1L3MBTL1MEN1
SCHEMBL6640539 0.76 MAPT (0.55) RXRARXRBRXRGMAPK1MAPT

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-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed