SCHEMBL4030552

SCHEMBL4030552

COc1ccc2c(c1)CCC(O)=C2C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
GLA P06280 2/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALPL P05186 1/20 0.52
CLK1 P49759 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP26A1 O43174 2/20 0.48
CYP24A1 Q07973 1/20 0.48
MIF P14174 5/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL588713 0.87 RAB9A (0.58) KDM4EGLAMEN1KMT2AALPL
SCHEMBL4025662 0.76 SRD5A1 (0.61) SMN1; SMN2ALDH1A1HTT
SCHEMBL4032086 0.76 SRD5A1 (0.41) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL17108416 0.76 MPO (0.59) KDM4EGLAMAPTSMN1; SMN2RAB9A
SCHEMBL11684649 0.76 KDM4E (0.57) KDM4EGLAMEN1KMT2AALPL
SCHEMBL9376500 0.75 MAPT (0.52) KDM4EMEN1KMT2AHSD17B10MAPT
SCHEMBL6325529 0.74 MPO (0.59) KDM4EGLAMEN1KMT2AALPL
SCHEMBL3018274 0.73 MIF (0.57) KDM4EGLAMEN1KMT2AALPL
SCHEMBL3018271 0.73 MIF (0.57) KDM4EGLAMEN1KMT2AALPL
SCHEMBL9391395 0.73 MIF (0.57) KDM4EGLAMEN1KMT2AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747201-B8 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2009-02-18 EP disclosed
EP-1747201-B1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-10-15 EP disclosed
EP-1747201-A1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-31 EP disclosed
WO-2005121099-A1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-12-22 WO disclosed