SCHEMBL11744320

SCHEMBL11744320

CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)N3C(=O)C4CCCCN4C3=O)c2)c(C(C)(C)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 3/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDYL Q9Y232 1/20 0.31
ACKR3 P25106 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL11748701 0.98 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11747486 0.85 MEN1 (0.34) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL11586329 0.82 MEN1 (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11820029 0.81 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11819814 0.81 MEN1 (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9187552 0.81 L3MBTL1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL11741741 0.80 PDK1 (0.38) ALDH1A1KMT2ATHRB
SCHEMBL7698979 0.79 MEN1 (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11749920 0.79 L3MBTL1 (0.34) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9344152 0.79 MEN1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-4012259-A DICARBONYL METHYLENE GROUP ON A 2,5-DIOXO-1-IMIDAZOLIDINE IS A YELLOW COUPLER FUJI PHOTO FILM CO., LTD. (JA) 1977-03-15 US disclosed