SCHEMBL11404752

SCHEMBL11404752

CCCCCCC(C)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PAX8 Q06710 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX5 P09917 3/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
CNR2 P34972 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
PTGES O14684 2/20 0.37
XBP1 P17861 1/20 0.37
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL1454448 1.00 CSNK1E (0.41) CSNK1ELMNAALDH1A1PAX8MEN1
SCHEMBL1454798 1.00 CSNK1E (0.41) CSNK1ELMNAALDH1A1PAX8MEN1
SCHEMBL1455367 1.00 CSNK1E (0.41) CSNK1ELMNAALDH1A1PAX8MEN1
SCHEMBL1455081 0.98 LMNA (0.42) CSNK1ELMNAALDH1A1PAX8MEN1
SCHEMBL1455005 0.92 PPARG (0.43) LMNAALDH1A1PAX8ALOX5PPARG
SCHEMBL1454709 0.84 MAOA (0.41) LMNAALDH1A1PAX8ALOX5PPARG
SCHEMBL10473468 0.82 MAOA (0.40) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL1454990 0.82 LMNA (0.36) LMNAALDH1A1PAX8ALOX5PPARG
SCHEMBL1454217 0.82 LMNA (0.36) LMNAALDH1A1PAX8ALOX5PPARG
SCHEMBL7241349 0.81 LMNA (0.43) CSNK1ELMNAALDH1A1PAX8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021637-A1 Amidothiol derivatives NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-01-07 EP disclosed