SCHEMBL8023979

SCHEMBL8023979

CCc1cc2c(OCC(=O)OC)cc(C(=O)OC)cc2n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
PLA2G2A P14555 5/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
S1PR3 Q99500 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
CNR2 P34972 1/20 0.39
PLA2G1B P04054 1/20 0.38

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
SCHEMBL8033888 0.90 HPGD (0.49) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL8037878 0.88 MTNR1A (0.55) MTNR1AMTNR1BPLA2G2AMAPTTHRB
SCHEMBL25136 0.85 MTNR1B (0.60) MTNR1AMTNR1BPLA2G2AMAPTPSEN1
SCHEMBL8034000 0.83 LMNA (0.50) MTNR1AMTNR1BMAPTTHRBALDH1A1
SCHEMBL5160095 0.78 PLA2G2A (0.52) MTNR1AMTNR1BPLA2G2AMAPTALDH1A1
SCHEMBL4757197 0.78 MTNR1B (0.52) MTNR1AMTNR1BPLA2G2AMAPTTHRB
SCHEMBL8033990 0.76 PLA2G2A (0.67) PLA2G2APLA2G1B
SCHEMBL6333369 0.75 PLA2G2A (0.65) PLA2G2APLA2G1B
SCHEMBL6340494 0.75 PLA2G2A (0.65) PLA2G2APLA2G1B
SCHEMBL5697008 0.74 MTNR1A (0.52) MTNR1AMTNR1BPLA2G2APSEN1PSEN2

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
EP-0987250-A1 INDOLE DICARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2000-03-22 EP disclosed