SCHEMBL8799385

SCHEMBL8799385

CCC(O)c1c(C)oc2c(NC(=O)c3c(Cl)cncc3Cl)cccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.38
ITGB1 P05556 5/20 0.37
ITGA4 P13612 5/20 0.37
PTGES O14684 1/20 0.36
ITGB7 P26010 1/20 0.35
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 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
SCHEMBL8800035 0.92 GHSR (0.40) GHSRITGB1ITGA4ITGB7THRB
SCHEMBL8800451 0.87 TYK2 (0.42) GHSRITGB1ITGA4ITGB7ALDH1A1
SCHEMBL8801121 0.85 GPR35 (0.39) GHSRTHRBRAB9AALDH1A1
SCHEMBL8799666 0.84 GHSR (0.42) GHSRALDH1A1
SCHEMBL7816603 0.83 MEN1 (0.38) GHSRITGB1ITGA4THRBRAB9A
SCHEMBL7817213 0.83 MEN1 (0.39) GHSRITGB1ITGA4ITGB7TP53
SCHEMBL8799508 0.82 GPR35 (0.41) GHSRTHRBRAB9ANPC1
SCHEMBL8800075 0.80 ITGB1 (0.39) ITGB1ITGA4ALDH1A1
SCHEMBL8799550 0.80 ALDH1A1 (0.38) TP53RAB9AALDH1A1NPC1
SCHEMBL8798653 0.80 PTGS2 (0.40) GHSRTHRBRAB9AALDH1A1

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