SCHEMBL7476511

SCHEMBL7476511

CCOc1csc2ccc(C(=O)O)c(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
ABCC3 O15438 1/20 0.36
PLIN1 O60240 1/20 0.36
TP53 P04637 1/20 0.36
GSTA1 P08263 1/20 0.36
GSTP1 P09211 1/20 0.36
HSPD1 P10809 1/20 0.36
RECQL P46063 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 SCHEMBL7462872 0.99 TSHR (0.39) TSHRHSD17B10ALDH1A1LMNAHPGD
SCHEMBL7462861 0.89 KMT2A (0.38) TSHRALDH1A1LMNATDP1KMT2A
SCHEMBL7467904 0.86 CA12 (0.41) TSHRHSD17B10ALDH1A1LMNATDP1
SCHEMBL6182352 0.84 ALDH1A1 (0.41) TSHRALDH1A1HPGDTDP1KDM4E
Hydrochloric Acid SCHEMBL7464629 0.83 ALDH1A1 (0.40) TSHRALDH1A1HPGDTDP1KDM4E
SCHEMBL7469824 0.82 TSHR (0.42) TSHRHSD17B10ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL7464266 0.81 TSHR (0.41) TSHRHSD17B10ALDH1A1LMNAHPGD
SCHEMBL7472213 0.80 MAPT (0.35) TSHRALDH1A1LMNAKMT2AMEN1
SCHEMBL7464261 0.76 KMT2A (0.34) TSHRHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL7475097 0.75 MAPT (0.32) TSHRALDH1A1LMNAKMT2AMEN1

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-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 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