SCHEMBL17077985

SCHEMBL17077985

Brc1ccc(C23CC4CC(CC(C4)C2)C3)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
STS P08842 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
RAD52 P43351 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL17083326 0.78 ALDH1A1 (0.39) ALDH1A1LMNASTSMEN1KMT2A
SCHEMBL17077981 0.68 LTA4H (0.40) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL17077991 0.67 DPP4 (0.41) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL13209013 0.67 SLC6A2 (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL21819891 0.67 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL1837477 0.65 HSD11B1 (0.44) ALDH1A1LMNASLC6A2KMT2AKDM4E
SCHEMBL15009075 0.65 HDAC6 (0.44) ALDH1A1MEN1KMT2AKDM4EEPHX2
SCHEMBL17028581 0.64 HPGD (0.32) ALDH1A1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL25709691 0.64 LMNA (0.63) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL17028541 0.64 SLC6A2 (0.35) ALDH1A1SLC6A2SLC6A4SLC6A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015135867-A1 TERMINAL SUBSTITUTED OLIGOTHIOPHENES AND USE THEREOF IN OPTICAL SIGNAL TRANSMISSION SYSTEMS AND/OR AS COLOUR PIGMENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2015-09-17 WO disclosed
WO-2015135867-A1 TERMINAL SUBSTITUTED OLIGOTHIOPHENES AND USE THEREOF IN OPTICAL SIGNAL TRANSMISSION SYSTEMS AND/OR AS COLOUR PIGMENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2015-09-17 WO disclosed