SCHEMBL2175673

SCHEMBL2175673

O=C(O)c1ccc2c(c1)CCC1(CCC1)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
GRM1 Q13255 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
EPHX2 P34913 3/20 0.41
CYP2C9 P11712 1/20 0.41
SRD5A1 P18405 3/20 0.41
SRD5A2 P31213 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
SSTR5 P35346 1/20 0.39

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
SCHEMBL10075388 0.81 RXRA (0.56) RXRAALDH1A1KDM4EMAPTTDP1
SCHEMBL3880185 0.81 RXRA (0.64) RXRAALDH1A1KDM4EMAPTTDP1
SCHEMBL30195971 0.81 RXRA (0.64) RXRAALDH1A1KDM4EMAPTTDP1
SCHEMBL5322616 0.81 RXRA (0.51) RXRAGPR119EPHX2CYP2C9TRPM8
SCHEMBL18153948 0.81 HRH3 (0.57)
SCHEMBL4475359 0.77 AKT1 (0.49) EPHX2
SCHEMBL15156666 0.76 GPR119 (0.70) RXRAKMT2AGPR119EPHX2CYP2C9
SCHEMBL18144733 0.76 RXRA (0.48) RXRAALDH1A1KDM4EMAPTTDP1
SCHEMBL28840776 0.75 EPHX2 (0.44) KDM4EMAPTTDP1POLBBLM
SCHEMBL28840694 0.74 EPHX2 (0.43) KDM4EMAPTTDP1POLBBLM

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-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed