SCHEMBL8618952

SCHEMBL8618952

CC(=CCO)CCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PDPK1 O15530 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2A6 P11509 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8618944 1.00 FNTA (0.57) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL8615982 0.86 FNTA (0.56) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL8615976 0.86 FNTA (0.56) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL8622997 0.83 FNTA (0.54) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL29572084 0.79 ALDH1A1 (0.53) HDAC8KDM4ECYP3A4MAPTFFAR1
SCHEMBL21486330 0.79 ALDH1A1 (0.53) HDAC8KDM4ECYP3A4MAPTFFAR1
SCHEMBL8616042 0.78 PDPK1 (0.68) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL8616037 0.78 PDPK1 (0.68) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL8615974 0.78 FNTA (0.61) FNTAFNTBPDPK1CYP1A2CYP2A6
SCHEMBL2813151 0.77 FFAR1 (0.53) HDAC1FFAR1

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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed