SCHEMBL8768144

SCHEMBL8768144

O=C(CO)n1cc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3B P49841 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
AKR1B1 P15121 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NOTUM Q6P988 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23723572 0.80 ALDH1A1 (0.45) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2075524 0.73 ALDH1A1 (0.38) HPGDRAB9AKMT2AMEN1ALDH1A1
SCHEMBL6558533 0.73 CYP2A6 (0.35) HPGDRAB9AKMT2AMEN1ALDH1A1
SCHEMBL9956507 0.71 CES2 (0.38) HPGDKMT2AMEN1ALDH1A1TRPA1
SCHEMBL3700594 0.71 TSHR (0.39) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15880060 0.71 NOTUM (0.47) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL15878889 0.71 ALDH1A1 (0.50) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL5078453 0.70 LTA4H (0.48) KMT2ACYP1A2ALOX15TDP1POLB
Hydrochloric Acid SCHEMBL28200481 0.70 TSHR (0.38) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8794645 0.68 TSHR (0.48) HPGDNPC1RAB9AKMT2AMEN1

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-0592511-B1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC (US) 1997-08-20 EP disclosed
EP-0592511-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS. ANTIVIRALS INC (US) 1994-04-20 EP disclosed
WO-1993000352-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1993-01-07 WO disclosed
US-5166315-A Polynucleotides for genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1992-11-24 US disclosed