SCHEMBL11265763

SCHEMBL11265763

O=C(O)CCc1ccc(C(=O)c2ccccc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 1/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RPS6KB2 Q9UBS0 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL11035063 0.87 HPGD (0.62) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL11535079 0.86 MAPT (0.73) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL11537177 0.84 HPGD (0.51) HPGDKMT2AALDH1A1
SCHEMBL11299829 0.83 HPGD (1.00) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL11542196 0.82 MAPT (0.75) HPGDKMT2AALDH1A1MAPTMEN1
Methane SCHEMBL3400213 0.81 HPGD (0.97) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL11536593 0.81 SRD5A2 (0.50) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL22531009 0.81 HPGD (0.62) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL11532822 0.80 HPGD (0.73) HPGDKMT2AALDH1A1MAPTMEN1
SCHEMBL1943035 0.79 HPGD (0.70) HPGDKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US claimed
US-4318918-A ANTIINFLAMMATORY ANALGESICS ROUSSEL UCLAF (FR) 1982-03-09 US disclosed
US-4318918-A ANTIINFLAMMATORY ANALGESICS ROUSSEL UCLAF (FR) 1982-03-09 US disclosed
US-4318918-A ANTIINFLAMMATORY ANALGESICS ROUSSEL UCLAF (FR) 1982-03-09 US disclosed
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 US disclosed