SCHEMBL21698901

SCHEMBL21698901

C=C(/C=C\CC)NCCC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL19432683 0.81
SCHEMBL23560299 0.79 EPHX2 (0.34) KMT2AALDH1A1SMN1; SMN2
SCHEMBL21064326 0.79
SCHEMBL10465603 0.76 NPC1 (0.36) KMT2AMMP1MMP2MMP3MMP9
SCHEMBL20629281 0.75
SCHEMBL24095015 0.75 CNR1 (0.33) CNR1MMP1MMP2MMP3MMP9
SCHEMBL24689474 0.74 KMT2A (0.32) KMT2A
SCHEMBL24377548 0.74 CNR2 (0.32) CNR1
SCHEMBL22180358 0.74 MMP1 (0.38) CNR1KMT2AMMP1MMP2MMP3
SCHEMBL21190234 0.74

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
EP-3166603-B1 TREATMENT OF LEUKEMIA WITH HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS INC (US) 2020-02-12 EP disclosed