SCHEMBL11314652

SCHEMBL11314652

CCOc1ccc(Cl)cc1C(=O)c1cc(Cl)ccc1OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
KCNMA1 Q12791 1/20 0.51
LMNA P02545 2/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC9A1 P19634 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL945720 0.88 TSHR (0.65) TSHRHPGDGAAMAPTMEN1
SCHEMBL3385153 0.88 TSHR (0.50) TSHRHPGDGAAMAPTMEN1
SCHEMBL11627993 0.86 MEN1 (0.53) TSHRHPGDGAAMAPTMEN1
SCHEMBL17040919 0.85 SMN1; SMN2 (0.58) TSHRHPGDGAAMAPTMEN1
SCHEMBL4364443 0.85 GAA (0.50) TSHRHPGDGAAMAPTMEN1
SCHEMBL1809103 0.84 MRGPRX1 (0.49) TSHRGAAMAPTMEN1KMT2A
SCHEMBL16951643 0.84 TSHR (0.53) TSHRHPGDGAAMAPTMEN1
SCHEMBL17040662 0.83 ALDH1A1 (0.58) TSHRHPGDGAAMAPTMEN1
SCHEMBL6953541 0.82 RECQL (0.60) TSHRGAAMAPTMEN1KMT2A
SCHEMBL4627690 0.81 TDP1 (0.70) TSHRGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4251546-A Process for killing internal helminths using certain 1,1-bis-(2-substituted-3-nitrophenyl)alkane or alkylene derivatives ICI AUSTRALIA LIMITED (AU) 1981-02-17 US disclosed