SCHEMBL15533732

SCHEMBL15533732

CCCCC1CCC(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.44
S1PR4 O95977 3/20 0.44
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 3/20 0.44
S1PR5 Q9H228 3/20 0.44
CYP1A2 P05177 1/20 0.38
GLB1 P16278 1/20 0.36
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.32
GBA1 P04062 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL21936359 0.88 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698680 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698676 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL2698673 0.87 CYP2C9 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL15508649 0.86
SCHEMBL10974751 0.85 S1PR2 (0.55) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2691393 0.85 CYP2C9 (0.46) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2691396 0.85 CYP2C9 (0.46) S1PR2S1PR4S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL2691397 0.85 CYP2C9 (0.46) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823590 0.81 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2017025849-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS PFIZER INC. (US) 2017-02-16 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed