SCHEMBL3486

SCHEMBL3486

Cc1ccc(OC(CC(OC(=O)C(=O)OC(CC(Oc2ccc(C)cc2)c2cccs2)N(C)C)N(C)C)c2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 10/20 0.42
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
SLC6A9 P48067 3/20 0.37
RAB9A P51151 2/20 0.37
SLC7A5 Q01650 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 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
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL10102 0.91 ALDH1A1 (0.41) TRPM8TP53SLC6A9RAB9ASLC7A5
SCHEMBL10451 0.90 PPARG (0.39) TRPM8TP53SLC6A9RAB9ASLC7A5
SCHEMBL10539 0.88 SLC7A5 (0.52) TRPM8TP53SLC6A9RAB9ASLC7A5
SCHEMBL10155 0.81 TRPM8 (0.42) TRPM8TP53THRBRAB9ASLC7A5
SCHEMBL3568 0.79 SLC6A4 (0.45) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL2741 0.78 SLC6A2 (0.56) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL1535377 0.78 SLC6A2 (0.56) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL3312531 0.78 SLC6A2 (0.56) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL3700 0.76 SLC6A4 (0.44) RAB9AKDM4EMEN1NPC1ALDH1A1
Oxalic Acid SCHEMBL3485 0.75 SLC6A9 (0.47) TRPM8TP53THRBSLC6A9SLC7A5

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