SCHEMBL7946464

SCHEMBL7946464

CCOC(=O)C1CCCCN1C(=O)c1cncs1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 7/20 0.46
PIK3CD O00329 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
GRM5 P41594 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7953700 0.82 ALDH1A1 (0.50) ALDH1A1PIK3CDTSHRGRM5PKM
SCHEMBL7946476 0.79 ALDH1A1 (0.56) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2157294 0.78 ALDH1A1 (0.47) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2157261 0.78 GAA (0.64) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7585371 0.78 ALDH1A1 (0.65) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL3456792 0.76 ALDH1A1 (0.58) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL31669039 0.76 NR1D1 (0.65) MEN1KMT2AALDH1A1PIK3CDPKM
SCHEMBL28912695 0.76 NR1D1 (0.65) MEN1KMT2AALDH1A1PIK3CDPKM
SCHEMBL24661351 0.75 FKBP1A (0.65) FKBP1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL95898 0.75 ALDH1A1 (0.60) FKBP1AMEN1KMT2AALDH1A1KDM4E

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed