SCHEMBL7975528

SCHEMBL7975528

O=[N+]([O-])c1ccc(C2COCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
KCNJ1 P48048 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.39
CYP1B1 Q16678 1/20 0.38
POLB P06746 1/20 0.38
SLC18A3 Q16572 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL1582559 0.86 TSHR (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1022578 0.86 TSHR (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL1583098 0.86 TSHR (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29210391 0.85 MEN1 (0.42) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL28368681 0.84 SLC18A3 (0.45) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL28373802 0.84 SLC18A3 (0.45) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL28368682 0.84 SLC18A3 (0.45) ALDH1A1LMNAMAPTKCNJ1SMN1; SMN2
SCHEMBL2962446 0.81 LMNA (0.48) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
Methyl Alcohol SCHEMBL8766472 0.81 EPHX1 (0.49) ALDH1A1LMNAMEN1KMT2ARECQL
SCHEMBL28351479 0.80 HTT (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed