SCHEMBL863093

SCHEMBL863093

COCc1ccc(OC2CCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TNK2 Q07912 3/20 0.37
HSD11B1 P28845 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PTPN1 P18031 1/20 0.35
MMP13 P45452 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34

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
SCHEMBL7774639 0.84 DDB1 (0.41) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL5702480 0.84 DDB1 (0.41) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL4381658 0.84 DHFR (0.45) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL3500438 0.83 TNK2 (0.44) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL6624255 0.83 DHFR (0.55) DHFRNPC1RAB9AHSD11B1KDM4C
SCHEMBL813805 0.82 NPC1 (0.46) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL863094 0.82 DHFR (0.39) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL5702491 0.82 MEN1 (0.40) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL883393 0.81 DHFR (0.41) DHFRNPC1RAB9AMEN1KMT2A
SCHEMBL862862 0.81 MEN1 (0.43) DHFRNPC1RAB9AMEN1KMT2A

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
US-8143366-B2 Aryl carbamate oligomers for hydrolyzable prodrugs and prodrugs comprising same BIOCON LIMITED (IN) 2012-03-27 US disclosed
US-7335751-B2 Aryl carbamate oligomers for hydrolyzable prodrugs and prodrugs comprising same BIOCON LIMITED (IN) 2008-02-26 US disclosed