SCHEMBL7272014

SCHEMBL7272014

O=C(O)CC1(CCl)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL743722 0.85 HSD11B1 (0.38) TSHRHSD11B1CYP2C19ALDH1A1
SCHEMBL22292115 0.79 HSD11B1 (0.34) TSHRHSD11B1CYP2C19ALDH1A1
SCHEMBL12254218 0.77 TSHR (0.42) TSHRHSD11B1CYP2C19ALDH1A1
SCHEMBL3257641 0.77 TSHR (0.33) TSHRHSD11B1CYP2C19ALDH1A1
SCHEMBL9455475 0.74
SCHEMBL3254927 0.74 FFAR3 (0.32) TSHRHSD11B1
SCHEMBL16946087 0.72 HTT (0.32) TSHRHSD11B1
SCHEMBL16738685 0.70 CYP2C19 (0.36) TSHRHSD11B1CYP2C19ALDH1A1
SCHEMBL16946084 0.70 TSHR (0.31) TSHRALDH1A1
SCHEMBL13124944 0.70 AKR1B1 (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481429-B1 Quinoline derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
EP-0987262-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 EP disclosed
US-5300517-A Treating Alzheimer's SS PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
US-5240934-A Cognition activators SS PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5190951-A Inhibitors of acetylcholinesterase, treatment of senile dementia SS PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0481429-A2 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed