SCHEMBL18554127

SCHEMBL18554127

CCCCCOOC(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 3/20 0.47
CNR2 P34972 2/20 0.47
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
PAM P19021 1/20 0.45
CETP P11597 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9065264 0.95 TSHR (0.49) MEN1KMT2ATSHRCNR2MAPK1
SCHEMBL539127 0.83 ALDH1A1 (0.58) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL28008659 0.83 LMNA (0.53) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL28638406 0.83 TDP1 (0.54) TSHRALDH1A1LMNACETP
SCHEMBL3504146 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53
SCHEMBL8089822 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53
SCHEMBL3506940 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53
SCHEMBL11580191 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53
SCHEMBL872994 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53
SCHEMBL11580968 0.82 ALDH1A1 (0.58) MEN1KMT2ATSHRMAPK1TP53

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
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP claimed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO claimed
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO disclosed