SCHEMBL7409165

SCHEMBL7409165

CC(C)c1ccc(C(=O)OC2CCc3[nH]c4ccc(S(C)(=O)=O)cc4c3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 9/20 0.45
THRB P10828 2/20 0.45
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.44
HTR1B P28222 3/20 0.43
HTR1A P08908 2/20 0.42
HTR1D P28221 1/20 0.42
HTR6 P50406 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CFTR P13569 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
OPRM1 P35372 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
SCHEMBL7416472 0.74 PTGS1 (0.40) KMT2AMEN1HTR6
SCHEMBL7410585 0.74 KMT2A (0.51) KMT2AMEN1MAPTLMNAHTR1B
SCHEMBL7413500 0.74 SIRT1 (0.50) KMT2AMEN1HTR1BHTR1AHTR1D
SCHEMBL12127595 0.73 SIRT1 (0.51) KMT2AMEN1MAPTHTR1BHTR1A
SCHEMBL7410108 0.73 HTR1D (0.58) KMT2AMEN1MAPTTHRBLMNA
SCHEMBL7410347 0.71 HTR1F (0.54) KMT2AMEN1MAPTTHRBTP53
SCHEMBL7407777 0.71 NR2E1 (0.53) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL7406466 0.71 KMT2A (0.50) KMT2AMEN1MAPTLMNAHTR1B
Hydrochloric Acid SCHEMBL7417242 0.70 NR2E1 (0.52) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL7031370 0.70 KMT2A (0.46) KMT2AMEN1MAPTHTR1BHTR1A

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed