SCHEMBL7869328

SCHEMBL7869328

CCOC(=O)c1ccco1.O=C(OCc1ccccc1)c1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.46
ABL1 P00519 1/20 0.46
F2 P00734 1/20 0.46
TSHR P16473 1/20 0.46
RIN1 Q13671 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7869320 0.85 KMT2A (0.66) NPC1RAB9AKMT2ATDP1SLC6A2
Benzene SCHEMBL4222994 0.83 CA12 (0.50) NPC1RAB9AKMT2ALMNAALDH1A1
SCHEMBL7858190 0.81 PKM (0.56) NPC1RAB9AKMT2ATDP1SLC6A2
SCHEMBL7863830 0.81 KMT2A (0.61) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL624090 0.80 CA12 (0.53) TDP1LMNAALDH1A1HPGDTSHR
SCHEMBL859237 0.80 NPC1 (0.61) NPC1RAB9AKMT2ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL27676954 0.78 NPC1 (0.60) NPC1RAB9AKMT2ATDP1ALDH1A1
SCHEMBL28204092 0.78 NPC1 (0.60) NPC1RAB9AKMT2ATDP1ALDH1A1
SCHEMBL7864947 0.77 GAA (0.49) NPC1RAB9AKMT2ATDP1LMNA
SCHEMBL28356552 0.77 NPC1 (0.56) NPC1RAB9AKMT2ATDP1ALDH1A1

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