SCHEMBL17145751

SCHEMBL17145751

COc1ccc(/C=C\c2cc(CO)c(CO)c(OC)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
TLR9 Q9NR96 1/20 0.46
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43

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
SCHEMBL17145730 0.83 CYP19A1 (0.44) CYP19A1TLR9MAPTALDH1A1MEN1
SCHEMBL17145740 0.82 TUBB4A (0.54) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL17145739 0.82 CYP1A1 (0.60) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5071908 0.81 CYP1A2 (0.66) CYP19A1TLR9MAPTALDH1A1MEN1
SCHEMBL5071907 0.81 CYP1A2 (0.66) CYP19A1TLR9MAPTALDH1A1MEN1
SCHEMBL17145769 0.81 TUBB4A (0.64) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2980561 0.78 CYP19A1 (0.74) CYP19A1TLR9MAPTALDH1A1MEN1
SCHEMBL2980565 0.78 CYP19A1 (0.74) CYP19A1TLR9MAPTALDH1A1MEN1
SCHEMBL17145768 0.78 CYP1A2 (0.49) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL10030782 0.77 TUBB1 (0.56) CYP19A1MAPTALDH1A1MEN1KMT2A

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
US-RE45907-E1 Functionalized stilbene derivatives as improved vascular targeting agents OXIGENE, INC. (US) 2016-03-01 US disclosed
US-RE45720-E1 Functionalized stilbene derivatives as improved vascular targeting agents OXIGENE, INC. (US) 2015-10-06 US disclosed