SCHEMBL7363330

SCHEMBL7363330

Cc1ncsc1CCO[C]=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
HPGD P15428 4/20 0.44
MAPT P10636 2/20 0.44
SLC6A3 Q01959 1/20 0.37
MAPK1 P28482 2/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL5543582 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL6259547 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL17868772 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
Iodide SCHEMBL6303659 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
Iodide SCHEMBL6303658 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL260096 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL18986896 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL323587 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL24786623 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL2076979 0.75 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4ELMNA

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-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed