SCHEMBL3724416

SCHEMBL3724416

COC(=O)Cn1c(C)c(C(c2cocn2)S(=O)(=O)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 18/20 0.42
PTGDR Q13258 3/20 0.38
PTGIR P43119 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP3 P42574 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
SCHEMBL1466211 0.87 PTGDR2 (0.47) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1467913 0.85 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1467833 0.85 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1465979 0.85 PTGDR2 (0.46) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL3718281 0.84 PTGDR2 (0.44) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1464960 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL3718032 0.81 PTGDR2 (0.44) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1465369 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL1465051 0.81 PTGDR2 (0.51) ALDH1A1LMNAMAPTHK1HKDC1
SCHEMBL3724053 0.81 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHK1HKDC1

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
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed