SCHEMBL6904430

SCHEMBL6904430

Cc1cccc(C(=O)O[O])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ESR1 P03372 2/20 0.53
POLB P06746 1/20 0.53
ESR2 Q92731 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.50
KCNK3 O14649 1/20 0.50
KCNH2 Q12809 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL31316346 0.85 PARP1 (0.61) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL44313 0.85 PARP1 (0.61) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL29397067 0.85 PARP1 (0.61) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL4188727 0.85 PARP1 (0.61) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL2064872 0.84 PARP1 (0.55) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL40429 0.83 GPR17 (0.65) PARP1HDAC8HDAC6RAB9AKMT2A
SCHEMBL29534771 0.83 GPR17 (0.65) PARP1HDAC8HDAC6RAB9AKMT2A
SCHEMBL669300 0.83 PARP1 (0.64) PARP1HDAC8HDAC6NPC1RAB9A
SCHEMBL28289702 0.83 GPR17 (0.65) PARP1HDAC8HDAC6RAB9AKMT2A
SCHEMBL4605445 0.82 PARP1 (0.62) PARP1HDAC8HDAC6NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448683-A2 PROCESS OF PRODUCING EXPANDED POLYPROPYLENE RESIN BEADS JSP Corporation (JP) 2004-08-25 EP disclosed
WO-2003037971-A2 PROCESS OF PRODUCING EXPANDED POLYPROPYLENE RESIN BEADS JSP CORPORATION (JP) 2003-05-08 WO disclosed