SCHEMBL10451

SCHEMBL10451

CN(C)C(CC(Oc1ccc(Cl)cc1)c1cccs1)OC(=O)C(=O)OC(CC(Oc1ccc(Cl)cc1)c1cccs1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SLC6A9 P48067 2/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
SLC7A5 Q01650 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3486 0.90 TRPM8 (0.42) SLC6A9POLBTDP1TRPM8SLC7A5
SCHEMBL10102 0.90 ALDH1A1 (0.41) SLC6A9POLBTDP1TRPM8SLC7A5
SCHEMBL10539 0.87 SLC7A5 (0.52) PPARGPPARASLC6A9TRPM8SLC7A5
SCHEMBL3800 0.82 CACNA2D1 (0.39) PPARGPPARAPOLBTDP1SLC7A5
SCHEMBL3700 0.80 SLC6A4 (0.44) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL3312531 0.77 SLC6A2 (0.56) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL1535377 0.77 SLC6A2 (0.56) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL2741 0.77 SLC6A2 (0.56) LMNAKDM4EMEN1NPC1ALDH1A1
SCHEMBL3568 0.76 SLC6A4 (0.45) LMNAKDM4EMEN1NPC1ALDH1A1
Oxalic Acid SCHEMBL10450 0.76 SLC6A9 (0.48) SLC6A9CACNA2D1UTS2R

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-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 EP disclosed