SCHEMBL18090576

SCHEMBL18090576

COC(=O)c1sccc1S(=O)(=O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LMNA P02545 6/20 0.45
TP53 P04637 3/20 0.45
THRB P10828 2/20 0.45
EDNRA P25101 3/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18090574 0.86 LMNA (0.55) LMNAEDNRA
SCHEMBL22261640 0.76 NPC1 (0.46) POLBLMNANPC1MAPTALDH1A1
SCHEMBL12319426 0.75 EDNRA (0.52) POLBLMNATP53THRBEDNRA
SCHEMBL11471141 0.75 EDNRA (0.52) POLBLMNATP53THRBEDNRA
SCHEMBL4729037 0.74 NPC1 (0.47) POLBLMNANPC1MAPTALDH1A1
SCHEMBL3822222 0.74 TSHR (0.53) POLBLMNATP53THRBEDNRA
SCHEMBL388034 0.73 MAPT (0.55) POLBLMNATP53THRBEDNRA
SCHEMBL31607236 0.73 EDNRA (0.51) POLBLMNATP53THRBEDNRA
SCHEMBL4358291 0.73 CA1 (0.51) POLBLMNATP53THRBEDNRA
SCHEMBL11469582 0.72 EDNRA (0.56) POLBLMNATP53THRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
US-9440954-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-13 US disclosed
CN-104334542-A Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMA SPA 2015-02-04 CN disclosed