SCHEMBL11178552

SCHEMBL11178552

COCCc1c(N)cc(C(=O)O)c(CCOC)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 2/20 0.33
CDC25B P30305 1/20 0.33
CASP6 P55212 1/20 0.33
RCE1 Q9Y256 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 2/20 0.33
BCL2A1 Q16548 1/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL11173367 0.77 HCAR3 (0.42) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL11587382 0.76 HCAR2 (0.34) HCAR2ALDH1A1TDP1MAPK1CYP3A4
SCHEMBL28780392 0.75 KDM4E (0.43) HCAR2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL5612429 0.74 HCAR2 (0.40) HCAR2ALDH1A1KDM4ETSHRMAPK1
SCHEMBL17797824 0.73 TSHR (0.38) HCAR2ALDH1A1TDP1TSHRCDC25B
SCHEMBL28182584 0.73 TSHR (0.38) HCAR2ALDH1A1KDM4ETDP1TSHR
SCHEMBL27933500 0.72 IDO1 (0.41) HCAR2PTGER4ALDH1A1KDM4EKMT2A
SCHEMBL17797893 0.72 TSHR (0.46) HCAR2ALDH1A1KDM4ETDP1TSHR
SCHEMBL153687 0.70 TSHR (0.38) HCAR2ALDH1A1KDM4ETDP1TSHR
SCHEMBL27736079 0.69 TSHR (0.52) HCAR2ALDH1A1KDM4EKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4369191-A COMPLEMENT INHIBITION AMERICAN CYANAMID COMPANY (US) 1983-01-18 US disclosed