SCHEMBL20198075

SCHEMBL20198075

CC(NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ HDAC2 Q92769 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGS1 P23219 4/20 0.34
▸ PTGS2 P35354 4/20 0.34
▸ TPSAB1 Q15661 2/20 0.34
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL22100721 0.92 KMT2A (0.40) SMN1; SMN2NPC1RAB9AKMT2AHDAC2
SCHEMBL25681114 0.88 KMT2A (0.40) SMN1; SMN2KMT2APTGS1PTGS2TPSAB1
SCHEMBL22147094 0.87 KMT2A (0.41) SMN1; SMN2RAB9AKMT2ALMNAPTGS1
SCHEMBL25064904 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AHDAC2
SCHEMBL20210383 0.87 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AHDAC2
SCHEMBL23867925 0.87 FOLH1 (0.37) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL19375644 0.85 MMP3 (0.35) SMN1; SMN2NPC1RAB9AKMT2AHDAC2
SCHEMBL22642708 0.84 FAP (0.36) SMN1; SMN2KMT2AHDAC2PTGS1PTGS2
SCHEMBL21416454 0.84 FAP (0.36) SMN1; SMN2KMT2AHDAC2PTGS1PTGS2
SCHEMBL16276530 0.82 HRH1 (0.46) SMN1; SMN2NPC1RAB9APRSS1OPRM1

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-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 — — EP disclosed
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