SCHEMBL8720089

SCHEMBL8720089

CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1CC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.82
NPSR1 Q6W5P4 2/20 0.82
MAPT P10636 1/20 0.82
STAT1 P42224 1/20 0.82
POLB P06746 1/20 0.82
ATM Q13315 1/20 0.82
NPC1 O15118 3/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 2/20 0.61
ALDH1A1 P00352 4/20 0.61
TSHR P16473 3/20 0.61
NR4A1 P22736 1/20 0.61
TDP1 Q9NUW8 3/20 0.60
LMNA P02545 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP12 P39900 2/20 0.47

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
SCHEMBL8721835 0.84 RAB9A (0.79) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL12031669 0.84 RAB9A (0.79) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL9737661 0.82 RAB9A (0.64) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL12031702 0.82 RAB9A (0.81) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL8716863 0.81 RAB9A (0.63) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL27418587 0.81 RAB9A (0.63) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL16316220 0.81 RAB9A (0.78) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL9423196 0.80 RAB9A (0.77) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL12031674 0.80 RAB9A (0.73) RAB9ANPSR1MAPTSTAT1POLB
SCHEMBL4203572 0.80 RAB9A (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726304-A Porphocyanine and CNC-expanded porphyrins THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1998-03-10 US disclosed
EP-0757689-A1 PORPHOCYANINE AND CNC-EXPANDED PORPHYRINS QUADRA LOGIC TECHNOLOGIES INC. (CA) 1997-02-12 EP disclosed
US-5512675-A Methods for preparing porphyrin-like compounds THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1996-04-30 US disclosed
WO-1995029180-A1 PORPHOCYANINE AND CNC-EXPANDED PORPHYRINS QUADRA LOGIC TECHNOLOGIES INC. (CA) 1995-11-02 WO disclosed
EP-0666859-A1 WAVELENGTH-SPECIFIC PHOTOSENSITIVE PORPHACYANINE AND EXPANDED PORPHYRIN-LIKE COMPOUNDS AND METHODS FOR PREPARATION AND USE THEREOF QUADRA LOGIC TECHNOLOGIES INC. (CA) 1995-08-16 EP disclosed
US-5405957-A Wavelength-specific photosensitive compounds and expanded porphyrin-like compounds and methods of use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1995-04-11 US disclosed
WO-1994010172-A1 WAVELENGTH-SPECIFIC PHOTOSENSITIVE PORPHACYANINE AND EXPANDED PORPHYRIN-LIKE COMPOUNDS AND METHODS FOR PREPARATION AND USE THEREOF QUADRA LOGIC TECHNOLOGIES, INC. (CA) 1994-05-11 WO disclosed