SCHEMBL22054572

SCHEMBL22054572

CNCCCCC(NC1CCCCCCC1)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ SIGMAR1 Q99720 1/20 0.40
▸ EPHX1 P07099 11/20 0.38
▸ KISS1R Q969F8 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ HDAC4 P56524 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL25573548 1.00 SMN1; SMN2 (0.45) SMN1; SMN2SIGMAR1EPHX1KISS1REPHX2
SCHEMBL22054640 0.88 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1EPHX2HDAC4HDAC1
SCHEMBL20792784 0.88 SMN1; SMN2 (0.45) SMN1; SMN2EPHX1EPHX2HDAC4HDAC1
SCHEMBL22053731 0.85 SMN1; SMN2 (0.43) SMN1; SMN2EPHX1EPHX2HDAC4HDAC1
SCHEMBL17453157 0.83 CPB2 (0.47) SMN1; SMN2
SCHEMBL22054642 0.83 CPB2 (0.47) SMN1; SMN2
SCHEMBL24860120 0.82 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1EPHX2HDAC4HDAC1
SCHEMBL20801400 0.82 SMN1; SMN2 (0.46) SMN1; SMN2EPHX1EPHX2HDAC4HDAC1
SCHEMBL22054574 0.81 CPB2 (0.45) SMN1; SMN2
SCHEMBL12766489 0.80 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1

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
WO-2020107078-A1 DENDRIMER FOR THERAPY AND IMAGING STARPHARMA PTY LTD (AU) 2020-06-04 — — WO disclosed
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