SCHEMBL6996312

SCHEMBL6996312

O=C(O)NC(=O)c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
PLK1 P53350 3/20 0.47
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HDAC8 Q9BY41 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL31433394 0.84 ALDH1A1 (0.50) HDAC1HDAC6NPC1RAB9AHDAC3
SCHEMBL27621463 0.82 ALDH1A1 (0.52) EPHX2PLK1HDAC1HDAC6NPC1
SCHEMBL10153931 0.81 PLK1 (0.70) EPHX2PLK1HDAC1HDAC6SMN1; SMN2
SCHEMBL1364607 0.78 MPO (0.61) EPHX2HDAC6HDAC3NCOR2ALDH1A1
SCHEMBL20424311 0.78 HDAC6 (0.67) HDAC1HDAC6HDAC3NCOR2HDAC8
SCHEMBL6993793 0.78 TSHR (0.60) RAB9AALDH1A1SMN1; SMN2TP53KMT2A
Ammonia Solution, Strong SCHEMBL11061336 0.78 TSHR (0.60) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL14359901 0.77 EPHX2 (0.50) EPHX2PLK1HDAC1HDAC6NPC1
SCHEMBL18837905 0.76 PLK1 (0.63) EPHX2PLK1HDAC6SMN1; SMN2HDAC8
SCHEMBL10788701 0.76 PLK1 (0.50) EPHX2PLK1HDAC1HDAC6NPC1

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-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed