SCHEMBL6184313

SCHEMBL6184313

CSc1c(C(=O)Cl)ccc2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
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
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL6183667 0.88 AOC3 (0.39) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL6203050 0.86 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
Hydrochloric Acid SCHEMBL6184322 0.84 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL668947 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL668928 0.75 ATM (0.40) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6186035 0.73 ALDH1A1 (0.41) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL6184375 0.73 CTNNB1 (0.31) CTNNB1WNT3A
SCHEMBL6183081 0.72 DHODH (0.34) KDM4EALDH1A1HSD17B10HPGDHTT
Hydrochloric Acid SCHEMBL6183669 0.72 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL1020885 0.71 CTNNB1 (0.52) KDM4EHDAC3HDAC4HDAC1HDAC7

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