SCHEMBL20078293

SCHEMBL20078293

CCOCCOCCOCCC(=O)N[C@H](C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 1/20 0.34
NAMPT P43490 1/20 0.33
SELP P16109 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ACACB O00763 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
SCHEMBL26502774 0.89 MEN1 (0.38) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL26261230 0.84 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL23594547 0.81 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL23986624 0.81 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL2120083 0.81 KMT2A (0.52) ALDH1A1TSHRSMN1; SMN2GAAHPGD
SCHEMBL23331740 0.81 ALDH1A1 (0.46) ALDH1A1TSHREPHX2SMN1; SMN2FAAH
SCHEMBL25637025 0.80 MEN1 (0.45) ALDH1A1TSHRSMN1; SMN2GAAHPGD
SCHEMBL23913185 0.79 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL25637029 0.79 KMT2A (0.51) ALDH1A1SMN1; SMN2GAAHPGDNPSR1
SCHEMBL25145265 0.78 GLP1R (0.48) ALDH1A1MEN1KMT2AFAAHMAPK1

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-9950078-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2018-04-24 US disclosed
US-9950078-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2018-04-24 US disclosed