SCHEMBL8800451

SCHEMBL8800451

CCC(O)c1c(C)oc2c(NC(=O)c3c(C)cccc3Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.42
ITGB1 P05556 7/20 0.41
ITGA4 P13612 7/20 0.41
ITGA2 P17301 1/20 0.41
ITGB7 P26010 1/20 0.41
GHSR Q92847 3/20 0.40
UTS2R Q9UKP6 1/20 0.38
CCR8 P51685 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8800035 0.95 GHSR (0.40) ITGB1ITGA4ITGA2ITGB7GHSR
SCHEMBL8801121 0.90 GPR35 (0.39) TYK2GHSRALDH1A1MAPTLMNA
SCHEMBL8799666 0.89 GHSR (0.42) GHSRALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL8800075 0.88 ITGB1 (0.39) ITGB1ITGA4ALDH1A1MAPTLMNA
SCHEMBL8799550 0.88 ALDH1A1 (0.38) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL8799385 0.87 GHSR (0.38) ITGB1ITGA4ITGB7GHSRALDH1A1
SCHEMBL7816603 0.86 MEN1 (0.38) ITGB1ITGA4GHSRMAPTSMN1; SMN2
SCHEMBL7817213 0.86 MEN1 (0.39) TYK2ITGB1ITGA4ITGA2ITGB7
SCHEMBL8799508 0.85 GPR35 (0.41) TYK2GHSRMEN1KMT2A
SCHEMBL8798653 0.85 PTGS2 (0.40) GHSRALDH1A1MAPTLMNANPSR1

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