SCHEMBL7958853

SCHEMBL7958853

CCC(C)OC(=O)CC(C#N)(CC(=O)O)c1ccc(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.34
KCNN4 O15554 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 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
SCHEMBL8353117 0.87 DHODH (0.35) DHODHKCNN4
SCHEMBL7001235 0.84 CTSL (0.35) DHODH
SCHEMBL6997990 0.81 DHODH (0.36) DHODHKCNN4
SCHEMBL11821787 0.81 TSHR (0.32) POLB
SCHEMBL11818681 0.80 MAPT (0.38)
SCHEMBL7958850 0.79 MAPT (0.41) KCNN4POLB
SCHEMBL6998078 0.78 CYP2C19 (0.39)
SCHEMBL7956671 0.77 TP53 (0.37) DHODH
SCHEMBL6997552 0.76 SMN1; SMN2 (0.36)
SCHEMBL7947278 0.76 TP53 (0.45) DHODHPOLB

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