SCHEMBL6203050

SCHEMBL6203050

CSc1c(C(=O)O)ccc2c1OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
Hydrochloric Acid SCHEMBL6184322 0.98 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6186035 0.87 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2TP53NPC1
Hydrochloric Acid SCHEMBL6183669 0.86 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2TP53NPC1
SCHEMBL6184313 0.86 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL7997430 0.79 LTB4R (0.39) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL2427488 0.78 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL27527651 0.77 MEN1 (0.40) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL21262192 0.76 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL27504227 0.75 MAP3K14 (0.36) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL24328620 0.75 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT

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-1160244-B1 Isoxazole derivatives and their use as herbicides BAYER AGRICULTURE LTD (GB) 2005-10-19 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed