SCHEMBL8359113

SCHEMBL8359113

C=C1C2CC3CC(C2)CC1(c1ccc2ccccc2c1O)C3

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.37
LDHA P00338 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HIF1A Q16665 2/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL9764115 0.78 PTPN22 (0.44) PTPN22LDHAMAPTALDH1A1NPSR1
SCHEMBL8361557 0.78
SCHEMBL13004790 0.67 PTPN22 (0.46) PTPN22LDHAMAPTALDH1A1NPSR1
SCHEMBL11825654 0.67 ESR2 (0.41) MAPTALDH1A1GAACYP2C9
SCHEMBL8055785 0.67 CNR2 (0.36) MAPTALDH1A1NPSR1HPGDHSD17B10
SCHEMBL8693538 0.66 FAAH (0.40) GAA
SCHEMBL8359112 0.66 GAA (0.36) MAPTGAACYP1A2
SCHEMBL13004759 0.65 LDHA (0.53) LDHAMAPTHPGDKDM4E
SCHEMBL15009451 0.64 RCE1 (0.40) PTPN22LDHAMAPTALDH1A1NPSR1
SCHEMBL9408536 0.63 STS (0.43) PTPN22LDHAMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856522-A Method of using synthesis of 1,2-dioxetanes and kits therefore TROPIX, INC. (US) 1999-01-05 US disclosed
US-5777133-A Synthesis of 1, 2-dioxetanes and intermediates therefor TROPIX, INC. (US) 1998-07-07 US disclosed
US-5679802-A 1,2-dioxetanes useful in chemiluminescent immunoassays TROPIX, INC. (US) 1997-10-21 US disclosed