SCHEMBL7094570

SCHEMBL7094570

OC(CCc1ccccc1)N1CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.47
MCL1 Q07820 1/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
MC4R P32245 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
HSD17B2 P37059 1/20 0.42
ABCB1 P08183 2/20 0.42
ANPEP P15144 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL10365698 0.82 SLC6A4 (0.58) MEN1KMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL5672472 0.76 KDM4E (0.51) KDM4EMEN1KMT2ATSHRMCL1
SCHEMBL598212 0.75 TDP1 (0.55) TSHRSLC6A4SLC6A3SLC6A2ANPEP
SCHEMBL30146580 0.73 TDP1 (0.52) TSHRSLC6A4SLC6A3SLC6A2ANPEP
SCHEMBL30146557 0.73 TDP1 (0.52) TSHRSLC6A4SLC6A3SLC6A2ANPEP
SCHEMBL4799370 0.73 MMP2 (0.55) TSHRSLC6A4SLC6A3SLC6A2ANPEP
SCHEMBL7268763 0.73 TDP1 (0.52) TSHRSLC6A4SLC6A3SLC6A2ANPEP
SCHEMBL10600089 0.73 ABCB1 (0.62) KDM4EMEN1KMT2ATSHRSIGMAR1
SCHEMBL11390977 0.72 HSD17B2 (0.49) KDM4EMEN1KMT2ATSHRHSD17B2
SCHEMBL583721 0.72 CYP1A2 (0.58) MEN1KMT2ATSHRSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003089476-A1 CROSS-LINKED HYALURONATE COMPOUNDS GENZYME CORPORATION (US) 2003-10-30 WO claimed
WO-2003089476-A1 CROSS-LINKED HYALURONATE COMPOUNDS GENZYME CORPORATION (US) 2003-10-30 WO disclosed
WO-2003089026-A1 AZIRIDINE COMPOUNDS AND THEIR USE IN MEDICAL DEVICES GENZYME CORPORATION (US) 2003-10-30 WO disclosed