SCHEMBL8689487

SCHEMBL8689487

CCc1cn(Cc2[nH]c(C(=O)OCc3ccccc3)c(C)c2CCCO)cc1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MAPT P10636 1/20 0.56
STAT1 P42224 1/20 0.56
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 6/20 0.49
ALDH1A1 P00352 3/20 0.49
NR4A1 P22736 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8721838 0.91 RAB9A (0.65) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL8684478 0.87 TDP1 (0.67) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL7631227 0.85 RAB9A (0.64) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL8686608 0.81 LMNA (0.38) NPSR1TSHRKMT2ALMNAGAA
SCHEMBL8689491 0.80 RAB9A (0.57) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL8716791 0.80 RAB9A (0.51) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL8684469 0.78 RAB9A (0.49) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL9097901 0.77 RAB9A (0.47) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL16316220 0.77 RAB9A (0.78) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL7685888 0.76 RAB9A (0.73) RAB9ANPSR1MAPTSTAT1POLB

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-5756726-A PHOTOSENSITIZERS PHARMACYCLICS, INC. (US) 1998-05-26 US disclosed