SCHEMBL6470871

SCHEMBL6470871

COn1c2ccccc2c2c(C(=O)O)ccc(-c3ccc([N+](=O)[O-])cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
PPARG P37231 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37

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
SCHEMBL6533698 0.77 TSPO (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6531077 0.76 TUBB4A (0.43) PPARGKDM4EALDH1A1MAPTHPGD
SCHEMBL5026571 0.76 TUBB4A (0.43) PPARGKDM4EALDH1A1MAPTHPGD
SCHEMBL5737581 0.75 ALDH1A1 (0.43) ALDH1A1MAPTPOLBCDK2AKR1C3
SCHEMBL5022815 0.73 AR (0.50) PPARGARTUBB4ATUBBTUBA3C
SCHEMBL5022316 0.70 PPARG (0.47) PPARGARPOLBKMT2A
SCHEMBL5023377 0.70 AR (0.48) PPARGARPOLBMEN1KMT2A
SCHEMBL5026585 0.68 KMT2A (0.40) CD40CD40LGKDM4EALDH1A1MAPT
SCHEMBL2547080 0.68 MYC (0.56) PPARGALDH1A1MAPTSMN1; SMN2AR
SCHEMBL31348928 0.67 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed