SCHEMBL10102

SCHEMBL10102

COc1ccc(OC(CC(OC(=O)C(=O)OC(CC(Oc2ccc(OC)cc2)c2cccs2)N(C)C)N(C)C)c2cccs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
SLC6A9 P48067 1/20 0.37
HPGD P15428 1/20 0.37
SLC7A5 Q01650 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL3486 0.91 TRPM8 (0.42) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL10451 0.90 PPARG (0.39) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL10539 0.88 SLC7A5 (0.52) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL7763989 0.82 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3994 0.81 L3MBTL1 (0.41) ALDH1A1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1535377 0.78 SLC6A2 (0.56) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3312531 0.78 SLC6A2 (0.56) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL2741 0.78 SLC6A2 (0.56) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3568 0.77 SLC6A4 (0.45) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL3700 0.76 SLC6A4 (0.44) ALDH1A1MEN1KMT2AKDM4ENPC1

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