SCHEMBL9769426

SCHEMBL9769426

CCC(C)(C)c1ccc(C(C)(C)CC)c(OC(C)[C]=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPSR1 Q6W5P4 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
UBE2N P61088 2/20 0.36
GLA P06280 1/20 0.36
MITF O75030 1/20 0.36
RAD52 P43351 2/20 0.33

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
SCHEMBL5145846 0.89 MAPK1 (0.50) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8761422 0.79 MAPK1 (0.45) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9425371 0.77 MAPK1 (0.41) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9425378 0.74 MAPK1 (0.41) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9589797 0.74 MAPK1 (0.44) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9769334 0.73 MAPK1 (0.44) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5147880 0.73 MAPK1 (0.43) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5143774 0.73 MAPK1 (0.49) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8943330 0.73 MAPK1 (0.45) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7061883 0.72 MAPK1 (0.48) MAPK1SMN1; SMN2NPSR1MEN1KMT2A

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-4994209-A Optically transparent solid solution of organic compound in polymer FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed