SCHEMBL7450187

SCHEMBL7450187

COc1cc(C=CC(=O)O)cc([N+](=O)[O-])c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
HTR1A P08908 1/20 0.72
HTR2C P28335 1/20 0.72
TUBB4A P04350 1/20 0.60
TUBB P07437 1/20 0.60
TUBA3C P0DPH7 1/20 0.60
TUBA1B P68363 1/20 0.60
TUBA4A P68366 1/20 0.60
TUBB4B P68371 1/20 0.60
TUBB3 Q13509 1/20 0.60
TUBB2A Q13885 1/20 0.60
TUBB8 Q3ZCM7 1/20 0.60
TUBA3E Q6PEY2 1/20 0.60
TUBA1A Q71U36 1/20 0.60
TUBA1C Q9BQE3 1/20 0.60
TUBB6 Q9BUF5 1/20 0.60
TUBB2B Q9BVA1 1/20 0.60

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
SCHEMBL4971210 1.00 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL4971223 1.00 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL12002057 0.90 JUN (0.63) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL17504467 0.90 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL17504469 0.90 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL17504465 0.90 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL16638706 0.89 HTT (0.72) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL17504463 0.87 JUN (0.75) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL6035433 0.87 JUN (0.75) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL29493678 0.87 TUBB4A (0.59) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077964-B1 FUMAGILLOL DERIVATIVES AND PROCESSES FOR PREPARING THE SAME CHONG KUN DANG PHARM CORP (KR) 2002-10-02 EP disclosed
EP-1077964-A1 FUMAGILLOL DERIVATIVES AND PROCESSES FOR PREPARING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2001-02-28 EP disclosed
US-6063812-A ANGIOGENESIS INHIBITORS, ANTIARTHRITIC AGENTS AND ANTICARCINOGENIC AGENTS PLUS SYNTHESIS CHONG KUN DANG CORPORATION (KR) 2000-05-16 US disclosed
WO-1999059986-A1 FUMAGILLOL DERIVATIVES AND PROCESSES FOR PREPARING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 1999-11-25 WO disclosed