SCHEMBL5147885

SCHEMBL5147885

CCC(C)(C)c1ccc(C(C)(C)CC)c(OCCOC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.43
NPSR1 Q6W5P4 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 6/20 0.43
HTT P42858 3/20 0.43
UBE2N P61088 2/20 0.43
GLA P06280 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 4/20 0.39
RAD52 P43351 2/20 0.39
STAT3 P40763 1/20 0.39
RCE1 Q9Y256 1/20 0.39
APAF1 O14727 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NPC1 O15118 3/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11775938 0.89 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5143964 0.82 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL9396932 0.82 MAPK1 (0.56) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11776600 0.82 MAPK1 (0.59) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8765578 0.82 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8943330 0.81 MAPK1 (0.45) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5147880 0.81 MAPK1 (0.43) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6405628 0.80 MAPK1 (0.43) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5143965 0.80 SMN1; SMN2 (0.47) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6759090 0.80 MAPK1 (0.46) MAPK1NPSR1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed