SCHEMBL8798653

SCHEMBL8798653

CCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cccc3Oc3ccccc3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
LMNA P02545 2/20 0.39
GHSR Q92847 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
S1PR2 O95136 1/20 0.35

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
SCHEMBL8799666 0.90 GHSR (0.42) PTGS2GHSRTSHRMAPK1ALDH1A1
SCHEMBL8800324 0.88 MAOB (0.43) GHSRALDH1A1L3MBTL1KMT2ANPSR1
SCHEMBL8800035 0.88 GHSR (0.40) LMNAGHSRKMT2ATHRBPOLB
SCHEMBL8800451 0.85 TYK2 (0.42) LMNAGHSRALDH1A1L3MBTL1KMT2A
SCHEMBL8801121 0.83 GPR35 (0.39) LMNAGHSRTSHRALDH1A1KMT2A
SCHEMBL7816803 0.81 PTGS2 (0.39) PTGS2LMNAGHSRTSHRMAPK1
SCHEMBL8799385 0.80 GHSR (0.38) GHSRALDH1A1THRBRAB9A
SCHEMBL7816603 0.80 MEN1 (0.38) GHSRKMT2ATHRBPOLBRAB9A
SCHEMBL7817213 0.80 MEN1 (0.39) LMNAGHSRALDH1A1KMT2ANPSR1
SCHEMBL8799508 0.79 GPR35 (0.41) PTGS2GHSRKMT2ATHRBPOLB

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
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed