SCHEMBL11740955

SCHEMBL11740955

CCC(C)(C)c1ccc(OC(C)CCCl)c(C(C)(C)CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 5/20 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 3/20 0.41
RAD52 P43351 2/20 0.41
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NOD2 Q9HC29 1/20 0.41
STAT3 P40763 1/20 0.39
RCE1 Q9Y256 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL10396119 0.86 MAPK1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10360547 0.86 MAPK1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5489761 0.85 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8980027 0.83 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10857954 0.80 MAPK1 (0.52) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL7107870 0.80 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL7227225 0.80 MAPK1 (0.53) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8961897 0.80 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL10396118 0.79 MAPK1 (0.47) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11741919 0.79 MAPK1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4029508-A PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1977-06-14 US disclosed