SCHEMBL30176255

SCHEMBL30176255

COC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.64
PLA2G2A P14555 6/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HSP90AA1 P07900 1/20 0.64
HSP90AB1 P08238 1/20 0.64
TRPM8 Q7Z2W7 3/20 0.63
KDM4E B2RXH2 2/20 0.62
MAPT P10636 1/20 0.62
HTR1D P28221 3/20 0.61
POLB P06746 1/20 0.61
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
PPARA Q07869 1/20 0.60
SLC6A4 P31645 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55

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
SCHEMBL853597 1.00 LTA4H (0.64) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL6664147 0.91 ALDH1A1 (0.60) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL23701834 0.90 PPARG (0.68) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL23701738 0.89 PPARG (0.59) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL6219226 0.89 TRPM8 (0.70) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL853652 0.89 TRPM8 (0.67) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL4490807 0.88 PPARG (0.71) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL17320596 0.87 KDM4E (0.53) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL15747748 0.87 KDM4E (0.59) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL6101212 0.86 LTA4H (0.70) LTA4HPLA2G2AMEN1KMT2AHSP90AA1

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-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed