SCHEMBL11844094

SCHEMBL11844094

O=C(c1ccccc1)c1ccc(OCc2ccc(-c3nc4ccccc4o3)cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 3/20 0.48
▸ HPGD P15428 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CTSD P07339 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ BCHE P06276 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ PDE4A P27815 1/20 0.46

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
SCHEMBL11520960 0.88 MAPT (0.52) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11327576 0.86 MAPT (0.57) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11524969 0.84 CHRNB4 (0.54) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11336225 0.84 HPGD (0.46) MAPTTP53HPGDALDH1A1SMN1; SMN2
SCHEMBL11526734 0.83 MAPT (0.49) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11841332 0.83 HPGD (0.59) MAPTTP53HPGDALDH1A1SMN1; SMN2
SCHEMBL11337436 0.82 SMN1; SMN2 (0.48) MAPTTP53HPGDALDH1A1SMN1; SMN2
SCHEMBL11524628 0.82 AOC3 (0.50) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11524987 0.81 MAPT (0.51) PDK1MAPTTP53HPGDALDH1A1
SCHEMBL11520957 0.81 MAPT (0.53) PDK1MAPTTP53HPGDALDH1A1

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-3988295-A Organic compositions stabilized with benzoxazole or oxadiazole compounds EASTMAN KODAK COMPANY (US) 1976-10-26 — — US disclosed
Send feedback