SCHEMBL5507447

SCHEMBL5507447

CC(C)(C)OC(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.72
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
AVPR1A P37288 2/20 0.47
MAPT P10636 1/20 0.44
CREBBP Q92793 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
PYGL P06737 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL6699986 0.89 NR4A2 (0.72) NR4A2F7F3PYGL
SCHEMBL1696922 0.84 NR4A2 (0.51) NR4A2MAPTCREBBPTUBB1
SCHEMBL3094622 0.84 NR4A2 (1.00) NR4A2F7F3AVPR1AMAPT
SCHEMBL7360321 0.83 NR4A2 (0.50) NR4A2MAPTCREBBPALDH1A1TUBB1
SCHEMBL30009696 0.83 NR4A2 (0.50) NR4A2MAPTCREBBPTUBB1
SCHEMBL6511301 0.83 NR4A2 (0.50) NR4A2MAPTCREBBPTUBB1
SCHEMBL31618837 0.83 NR4A2 (0.56) NR4A2MAPTCREBBPTUBB1
SCHEMBL4780483 0.82 MAPT (0.63) NR4A2MAPTALDH1A1TUBB1
SCHEMBL4556456 0.81 NR4A2 (0.73) NR4A2F7F3AVPR1AMAPT
SCHEMBL3181314 0.81 NR4A2 (0.64) NR4A2F7F3AVPR1AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed