SCHEMBL11405474

SCHEMBL11405474

CCCCCCCC1CCC(C2CCC(C(=O)Oc3ccc(OCC)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 2/20 0.41
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
S1PR5 Q9H228 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL11411629 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11411114 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11408119 0.99 KMT2A (0.43) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL9402522 0.96 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL3278501 0.96 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11405762 0.95 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL2208255 0.95 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL8046614 0.95 KMT2A (0.46) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11411613 0.94 S1PR5 (0.44) KMT2AHTTSMN1; SMN2TDP1TP53
SCHEMBL11407348 0.94 S1PR5 (0.44) KMT2AHTTSMN1; SMN2TDP1TP53

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed