SCHEMBL8169342

SCHEMBL8169342

COC(=O)c1cc2c(cc1NC(=O)C=Cc1ccc(OC)c(OC)c1OC)sc1cc(NC(=O)C=Cc3ccc(OC)c(OC)c3OC)c(C(=O)OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HPGD P15428 6/20 0.49
KDM4E B2RXH2 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
CHRNA7 P36544 1/20 0.45
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1B1 Q16678 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL8169343 0.96 MAPT (0.48) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8168235 0.92 MAPT (0.52) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8168502 0.91 HCAR2 (0.54) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8168508 0.87 HCAR2 (0.55) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8163026 0.82 HCAR2 (0.59) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8173573 0.77 MAPT (0.46) ALDH1A1KDM4ELMNAGAAABCG2
SCHEMBL8172315 0.76 KDM4E (0.52) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL4666922 0.76 ABCG2 (0.55) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL4666926 0.76 ABCG2 (0.55) ALDH1A1HPGDKDM4ENPSR1LMNA
SCHEMBL8161855 0.75 LTB4R (0.54) ALDH1A1HPGDKDM4ENPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022307-A ANGIOGENESIS INHIBITOR AMERICAN CYANAMID COMPANY (US) 2000-02-08 US disclosed