SCHEMBL7475005

SCHEMBL7475005

COCOc1ccc(CCCOS(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
ALPG P10696 1/20 0.40
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
PRSS1 P07477 3/20 0.38
HTT P42858 1/20 0.38
GAA P10253 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
SCHEMBL4179550 0.84 MAPT (0.45) ALDH1A1MAPTALPGLMNANPSR1
SCHEMBL7467338 0.82 ALDH1A1 (0.50) ALDH1A1MAPTALPGLMNANPSR1
SCHEMBL5760155 0.81 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL7467478 0.79 S1PR4 (0.41) ALDH1A1MAPTALPGLMNANPSR1
SCHEMBL6489059 0.76 SMN1; SMN2 (0.50) ALDH1A1MAPTALPGLMNANPSR1
SCHEMBL7462848 0.76 S1PR4 (0.42) ALDH1A1MAPTALPGLMNANPSR1
SCHEMBL16054193 0.74 CYP3A4 (0.42) ALDH1A1MAPTLMNASMN1; SMN2PKM
SCHEMBL2453696 0.73 CA2 (0.52) ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL6271861 0.73 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL9423816 0.71 ALDH1A1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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
CN-1107059-C Azole deriv. YAMANOUCHI PHARMA CO LTD (JP) 2003-04-30 CN disclosed
EP-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
CN-1160397-A Azole deriv. YAMANOUCHI PHARMA CO LTD (JP) 1997-09-24 CN disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed