SCHEMBL3721644

SCHEMBL3721644

COC(=O)Cn1c(C)c(C(c2cc(C)cs2)S(=O)(=O)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGDR2 Q9Y5Y4 18/20 0.42
PTGDR Q13258 3/20 0.39
CYP2C9 P11712 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AKR1B1 P15121 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
SCHEMBL3719025 0.91 PTGDR2 (0.51) PTGDR2PTGDRCYP2C9AKR1B1
SCHEMBL1465369 0.90 ALDH1A1 (0.47) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1465472 0.89 ALDH1A1 (0.46) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1467192 0.87 ALDH1A1 (0.45) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1465686 0.86 ALDH1A1 (0.44) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1465979 0.86 PTGDR2 (0.46) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL3724053 0.85 ALDH1A1 (0.45) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL27828490 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1466781 0.84 ALDH1A1 (0.44) MAPTALDH1A1LMNAHK1HKDC1
SCHEMBL1466211 0.83 PTGDR2 (0.47) MAPTALDH1A1LMNAHK1HKDC1

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