SCHEMBL7864947

SCHEMBL7864947

CCOC(=O)c1cccs1.O=C(OCc1ccccc1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
APEX1 P27695 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6267922 0.83 HPGD (0.62) TSHRALDH1A1CYP2C9NPC1RAB9A
SCHEMBL7863830 0.80 KMT2A (0.61) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL422787 0.79 RAB9A (0.62) TSHRALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL859237 0.79 NPC1 (0.61) TSHRALDH1A1NPC1RAB9AMAPT
Methane SCHEMBL6835154 0.77 RAB9A (0.60) TSHRALDH1A1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL27676954 0.77 NPC1 (0.60) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL28204092 0.77 NPC1 (0.60) TSHRALDH1A1NPC1RAB9AMAPT
SCHEMBL7869328 0.77 NPC1 (0.50) TSHRALDH1A1CYP3A4CYP2C9NPC1
SCHEMBL28356552 0.76 NPC1 (0.56) GAATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL11327860 0.75 POLB (0.66) GAATSHRALDH1A1RECQLNPC1

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
WO-2001019185-A2 METHODS FOR CONTROLLING A PEST POPULATION SUMMUS GROUP, LTD. (US) 2001-03-22 WO disclosed