SCHEMBL5696803

SCHEMBL5696803

CCOC(=O)N(c1cccc2ccccc12)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
CDC25B P30305 3/20 0.46
SIGMAR1 Q99720 2/20 0.44
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL11570035 0.81 SIGMAR1 (0.56) ALDH1A1HPGDCDC25BSIGMAR1CDC25A
SCHEMBL11841904 0.79 ALDH1A1 (0.41) ALDH1A1HPGDTSHRKDM4EKMT2A
SCHEMBL8966581 0.79 SIGMAR1 (0.56) ALDH1A1HPGDCDC25BSIGMAR1CDC25A
SCHEMBL11517103 0.79 SIGMAR1 (0.47) ALDH1A1HPGDSIGMAR1KDM4EKMT2A
SCHEMBL28138500 0.75 ALDH1A1 (0.60) ALDH1A1HPGDKMT2APOLBL3MBTL1
SCHEMBL7448373 0.75 SMPD2 (0.43) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL7142898 0.75 SMPD2 (0.43) ALDH1A1HPGDKDM4EKMT2AL3MBTL1
SCHEMBL31558690 0.73 ALDH1A1 (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL17822135 0.73 ALDH1A1 (0.43) ALDH1A1HPGDCDC25BSIGMAR1CDC25A
SCHEMBL7189886 0.73 PTPN1 (0.49) ALDH1A1HPGDCDC25BCDC25ACDC25C

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
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed