SCHEMBL7956387

SCHEMBL7956387

CCOC(=O)CC1(c2ccc(F)cc2F)CNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 2/20 0.34
LMNA P02545 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
GAA P10253 1/20 0.33
AURKA O14965 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8806739 0.86 GAA (0.39) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL6993857 0.83 GAA (0.40) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL7487771 0.81 KMT2A (0.37) ALDH1A1HPGDTSHRKMT2ALMNA
SCHEMBL11816778 0.76 GAA (0.42) POLBMAPTRAB9AALDH1A1TDP1
SCHEMBL2637139 0.76 GAA (0.53) ALDH1A1MEN1KMT2AGAA
SCHEMBL7465770 0.75 GAA (0.37) POLBMAPTALDH1A1HPGDMAPK1
SCHEMBL6995994 0.75 GAA (0.41) MAPTRAB9AALDH1A1TDP1MEN1
SCHEMBL6997876 0.75 GAA (0.41) POLBALDH1A1HPGDKMT2AGAA
SCHEMBL11817118 0.74 GAA (0.41) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL31634506 0.74 GAA (0.40) POLBMAPTALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed