SCHEMBL11399533

SCHEMBL11399533

CCOC(=O)C(=O)Nc1cc(C#N)c(Cl)c(NC(=O)C(=O)OCC)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.68
ALDH1A1 P00352 4/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.45
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 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
SCHEMBL11582891 0.82 ALDH1A1 (0.69) GPR35ALDH1A1GAAL3MBTL1MAPT
Lodoxamide Ethyl SCHEMBL667976 0.81 GPR35 (1.00) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL9364621 0.81 ALDH1A1 (0.56) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL11391689 0.79 GPR35 (0.62) GPR35ALDH1A1GAA
SCHEMBL9369972 0.79 ALDH1A1 (0.60) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL11615055 0.79 GPR35 (0.53) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL11671049 0.78 GPR35 (0.58) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL11390592 0.76 GPR35 (0.68) GPR35ALDH1A1GAAL3MBTL1MAPT
SCHEMBL9364832 0.76 GPR35 (0.60) GPR35ALDH1A1GAAMAPTTHRA
SCHEMBL11571030 0.75 GPR35 (0.74) GPR35ALDH1A1GAAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 US disclosed