SCHEMBL11060828

SCHEMBL11060828

CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(OC(N)=O)c(C)c(Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.35
HTT P42858 3/20 0.35
UBE2N P61088 2/20 0.35
GLA P06280 1/20 0.35
RAD52 P43351 2/20 0.35
APAF1 O14727 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
NOD2 Q9HC29 1/20 0.35
ACACB O00763 1/20 0.34
MITF O75030 1/20 0.33
STAT3 P40763 1/20 0.33
RCE1 Q9Y256 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL11757359 0.92 MAPK1 (0.38) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11754837 0.89 NPSR1 (0.40) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL7704204 0.89 NPSR1 (0.40) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11421800 0.88 MAPK1 (0.39) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10713282 0.87 MAPK1 (0.43) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10715681 0.87 MAPK1 (0.42) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11578792 0.86 MAPK1 (0.38) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11528814 0.86 NPSR1 (0.41) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10712683 0.85 NPSR1 (0.41) MAPK1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11647481 0.85 MAPK1 (0.37) MAPK1NPSR1MEN1KMT2ASMN1; SMN2

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-4469773-A RELEASING AMMONIA OR AMINE EASTMAN KODAK COMPANY (US) 1984-09-04 US claimed
US-4469773-A RELEASING AMMONIA OR AMINE EASTMAN KODAK COMPANY (US) 1984-09-04 US disclosed