SCHEMBL6904601

SCHEMBL6904601

CC1(C)CC(C(=CC(=O)O)C(=O)O)CC(C)(C)N1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
AMPD2 Q01433 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
GRM6 O15303 1/20 0.35
ELANE P08246 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL995046 1.00 DRD2 (0.39) DRD2DRD4DRD3TMEM97SIGMAR1
SCHEMBL9727745 0.86 TSHR (0.38) DRD2DRD4DRD3TMEM97SIGMAR1
SCHEMBL909995 0.82 AMPD2 (0.43) TMEM97SIGMAR1AMPD2MEN1KMT2A
SCHEMBL909996 0.82 AMPD2 (0.43) TMEM97SIGMAR1AMPD2MEN1KMT2A
SCHEMBL9514866 0.78 AMPD2 (0.40) DRD2DRD4DRD3AMPD2MEN1
SCHEMBL11841166 0.77 TSHR (0.43) DRD2DRD4DRD3TMEM97SIGMAR1
Acetic Acid SCHEMBL9813576 0.75 AMPD2 (0.47) TMEM97SIGMAR1AMPD2MEN1KMT2A
Crotonic Acid SCHEMBL10953476 0.74 MEN1 (0.41) DRD2DRD4DRD3SIGMAR1AMPD2
Crotonic Acid SCHEMBL9813584 0.74 MEN1 (0.41) DRD2DRD4DRD3SIGMAR1AMPD2
SCHEMBL39509 0.74 KMT2A (0.44) SIGMAR1AMPD2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084183-B1 GRANULAR FORM OF A MIXTURE OF A NICKEL-QUENCHER AND A BENZOPHENONE AND PROCESS FOR ITS PREPARATION GREAT LAKES CHEMICAL EUROP (CH) 2004-06-16 EP disclosed
EP-0856526-B1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORP (JP) 2002-08-28 EP disclosed
US-6313225-B2 High melt tension, high crystallization temperature; hollow moldings CHISSO CORPORATION (JP) 2001-11-06 US disclosed
US-20010004657-A1 OLEFIN(CO-) POLYMER COMPOSITIONS AND METHOD FOR PRODUCING THE SAME ANDCATALYST FOR OLEFIN (CO-) POLYMERIZATION AND METHOD FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 2001-06-21 US disclosed
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
US-6156845-A Polyolefin composition and method of making CHISSO CORPORATION (JP) 2000-12-05 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed
EP-0856526-A1 OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PRODUCING THE SAME, CATALYST FOR (CO)POLYMERIZING OLEFIN, AND PROCESS FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 1998-08-05 EP disclosed