SCHEMBL1859772

SCHEMBL1859772

COc1ccc(Cc2ccc(Cl)[c]c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CMA1 P23946 1/20 0.39
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1859756 0.81 IDO1 (0.34) ALDH1A1IDO1POLBMAPT
SCHEMBL1862187 0.77 MAPT (0.36) ALDH1A1SMN1; SMN2LMNAIDO1HPGD
SCHEMBL28872975 0.76 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2LMNAIDO1
SCHEMBL1859774 0.74 LTA4H (0.55) LTA4HALDH1A1SMN1; SMN2LMNAIDO1
SCHEMBL3840431 0.74 LTA4H (0.50) LTA4HALDH1A1SMN1; SMN2LMNA
SCHEMBL1425001 0.71 LTA4H (0.81) LTA4HALDH1A1SMN1; SMN2LMNAIDO1
SCHEMBL27884 0.71 LTA4H (0.81) LTA4HALDH1A1SMN1; SMN2LMNAIDO1
SCHEMBL25986524 0.71 LTA4H (0.81) LTA4HALDH1A1SMN1; SMN2LMNAIDO1
SCHEMBL8306742 0.70 APP (0.42) SMN1; SMN2NPSR1KDM4EMAPTCYP2D6
SCHEMBL28131051 0.70 LTA4H (0.60) LTA4HALDH1A1SMN1; SMN2LMNAKDM4E

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-7939509-B2 Partial and full agonists of A1 adenosine receptors GILEAD SCIENCES, INC. (US) 2011-05-10 US disclosed