SCHEMBL7467338

SCHEMBL7467338

COCOc1ccc(CCCO)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALPG P10696 1/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
TTR P02766 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PRSS1 P07477 3/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4182115 0.84 MAPT (0.49) ALDH1A1MAPTSMN1; SMN2ALPGLMNA
SCHEMBL7475005 0.82 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2ALPGLMNA
SCHEMBL6489059 0.81 SMN1; SMN2 (0.50) ALDH1A1MAPTSMN1; SMN2ALPGLMNA
SCHEMBL7467478 0.79 S1PR4 (0.41) ALDH1A1MAPTSMN1; SMN2ALPGLMNA
SCHEMBL7462848 0.78 S1PR4 (0.42) ALDH1A1MAPTSMN1; SMN2ALPGLMNA
SCHEMBL8867007 0.77 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2LMNAHTTGAA
SCHEMBL10608532 0.77 TSHR (0.46) ALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL5759322 0.76 SMN1; SMN2 (0.47) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28698370 0.76 TSHR (0.49) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL9423816 0.76 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHTT

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