SCHEMBL1133829

SCHEMBL1133829

CCCCC(N)CCCCC(=O)C1CC(=O)N(O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
PRKCA P17252 1/20 0.34
S1PR2 O95136 6/20 0.33
S1PR1 P21453 6/20 0.33
S1PR3 Q99500 6/20 0.33
S1PR4 O95977 4/20 0.33
LMNA P02545 2/20 0.33
METAP1 P53582 1/20 0.33
PTGER4 P35408 7/20 0.32
PTGER3 P43115 6/20 0.32
PTGER2 P43116 5/20 0.32
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL27309683 0.86 PRKCA (0.43) ALDH1A1PRKCALMNAUSP2HSP90AA1
SCHEMBL27983508 0.84 PRKCA (0.46) ALDH1A1PRKCALMNAUSP2HSP90AA1
Ammonia Solution, Strong SCHEMBL28872308 0.84 PRKCA (0.42) ALDH1A1PRKCALMNAUSP2HSP90AA1
SCHEMBL1935917 0.84 PRKCA (0.46) ALDH1A1PRKCALMNAUSP2HSP90AA1
SCHEMBL4650754 0.84 PRKCA (0.46) ALDH1A1PRKCALMNAUSP2HSP90AA1
SCHEMBL4216173 0.78 METAP1 (0.42) METAP1
SCHEMBL5061804 0.71 BRD4 (0.33)
SCHEMBL997562 0.68 ALDH1A1 (0.60) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL129229 0.68 PTGS1 (0.53) ALDH1A1LMNAHSP90AA1MAPTHPGD
SCHEMBL28670321 0.68 CYP2C19 (0.33)

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181719-A1 NGR CONJUGATES AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-06-15 US disclosed
EP-4121440-A1 NGR CONJUGATES AND USES THEREOF Ospedale San Raffaele S.r.l. (IT) 2023-01-25 EP disclosed
US-20220008513-A1 COMBINED TREATMENT OF PRIMARY CENTRAL NERVOUS SYSTEM LYMPHOMA FONDAZIONE CENTRO SAN RAFFAELE (IT) 2022-01-13 US disclosed
EP-3886824-A1 COMBINED TREATMENT OF PRIMARY CENTRAL NERVOUS SYSTEM LYMPHOMA Fondazione Centro San Raffaele (IT) 2021-10-06 EP disclosed
WO-2021186071-A1 NGR CONJUGATES AND USES THEREOF OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-09-23 WO disclosed
EP-3882257-A1 NGR CONJUGATES AND USES THEREOF Ospedale San Raffaele S.r.l. (IT) 2021-09-22 EP disclosed
WO-2020109625-A1 COMBINED TREATMENT OF PRIMARY CENTRAL NERVOUS SYSTEM LYMPHOMA FONDAZIONE CENTRO SAN RAFFAELE (IT) 2020-06-04 WO disclosed
US-9782496-B2 Immunoconjugates for the treatment of tumours MOLMED SPA (IT) 2017-10-10 US disclosed
US-20170252435-A1 Combination MOLMED SPA (IT) 2017-09-07 US disclosed
US-20160074537-A1 Immunoconjugates for the Treatment of Tumours MOLMED SPA (IT) 2016-03-17 US disclosed
EP-1499362-A1 FUSIONS OF CYTOKINES AND TUMOR TARGETING PROTEINS Molmed SpA (IT) 2005-01-26 EP disclosed
WO-2003093478-A9 IMMUNOCONJUGATES FOR THE TREATMENT OF TUMOURS MOLMED SPA (IT) 2004-12-09 WO disclosed
WO-2004041297-A2 MODIFIED CYTOKINES FOR USE IN CANCER THERAPY FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR (IT) 2004-05-21 WO disclosed
US-20040018171-A1 Modified cytokines for use in cancer therapy FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR 2004-01-29 US disclosed
WO-2003093478-A1 IMMUNOCONJUGATES FOR THE TREATMENT OF TUMOURS MOLMED SPA (IT) 2003-11-13 WO disclosed
WO-2003092737-A1 FUSIONS OF CYTOKINES AND TUMOR TARGETING PROTEINS MOLMED SPA (IT) 2003-11-13 WO disclosed
US-20030157055-A1 Modified cytokines for use in cancer therapy FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR 2003-08-21 US disclosed
US-20030157056-A1 Modified cytokines for use in cancer therapy FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR 2003-08-21 US disclosed
EP-1255845-A2 MODIFIED CYTOKINES FOR USE IN CANCER THERAPY FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR (IT) 2002-11-13 EP disclosed
WO-2001061017-A2 MODIFIED CYTOKINES FOR USE IN CANCER THERAPY FONDAZIONE CENTRO SAN RAFFAELE DEL MONTE TABOR (IT) 2001-08-23 WO disclosed