SCHEMBL9359088

SCHEMBL9359088

CCN(CC)C(=O)C(=Cc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOB P27338 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL9596666 0.83 LMNA (0.44) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL7298723 0.77 AKR1C3 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL7298719 0.77 AKR1C3 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL15941381 0.77 MEN1 (0.66) NPC1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1006524 0.77 AKR1C3 (0.48) L3MBTL1ALDH1A1MEN1KMT2AALOX15
SCHEMBL9363622 0.76 MEN1 (0.44) NPC1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28807454 0.75 KMT2A (0.50) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL9562317 0.74 MEN1 (0.45) ALDH1A1MEN1KMT2AAKR1C3ABCG2
SCHEMBL29145676 0.74 MEN1 (0.61) NPC1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10436436 0.74 MCL1 (0.47) NPC1L3MBTL1ALDH1A1MEN1KMT2A

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-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP disclosed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US disclosed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed