SCHEMBL5175228

SCHEMBL5175228

CCCOCC(C)c1ccccc1Oc1ncccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 2/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.42
LTA4H P09960 1/20 0.41
MAPT P10636 6/20 0.40
RECQL P46063 2/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5175474 0.81 CYP1A2 (0.38) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL5175233 0.76 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3151065 0.75 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL31701918 0.74 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL11033001 0.72 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1340893 0.72 ALDH1A1 (0.80) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL6376744 0.71 ALDH1A1 (0.64) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL18613017 0.71 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL3158662 0.71 ALDH1A1 (0.78) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL10522426 0.71 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed