SCHEMBL2913469

SCHEMBL2913469

C[N+]1(Cc2ccc(CC(=O)O)cc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
CYP2D6 P10635 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
MAPT P10636 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
Bromide SCHEMBL3874361 0.98 CCR5 (0.43) CCR5CA2CAMK2AAPOBEC3AAPOBEC3G
SCHEMBL13714653 0.81 POLB (0.43) CCR5APOBEC3AAPOBEC3GHPGDUSP2
SCHEMBL2911826 0.79 MAPT (0.42) CA2CAMK2ACTDSP1AKR1B1ALDH1A1
SCHEMBL1961848 0.79 APOBEC3A (0.48) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1
Bromide SCHEMBL3874702 0.78 MAPT (0.41) CA2CAMK2ACTDSP1AKR1B1ALDH1A1
SCHEMBL12682901 0.78 CHRNA7 (0.44) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1
Hydrochloric Acid SCHEMBL10751415 0.78 APOBEC3A (0.47) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1
SCHEMBL10257015 0.78 APOBEC3A (0.47) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1
Water SCHEMBL4082000 0.78 APOBEC3A (0.47) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1
Bromide SCHEMBL10751445 0.78 APOBEC3A (0.47) CCR5APOBEC3AAPOBEC3GCYP2D6CTDSP1

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
EP-1517892-B1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-25 EP disclosed
EP-1517892-A1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-03-30 EP disclosed
WO-2004000804-A1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-31 WO disclosed