SCHEMBL18677743

SCHEMBL18677743

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1Cc1ccc(C(=O)NCCOCCOc3ccc(CCCl)cc3)cc1C(=O)OC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAOA P21397 7/20 0.38
▸ MAOB P27338 7/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL4437792 0.82 GSTP1 (0.59) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL16153115 0.74 GSTP1 (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL14086107 0.71 GSTP1 (0.42) RAB9ANPC1SMN1; SMN2MAPTCRBN
SCHEMBL31343967 0.71 GSTP1 (0.58) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13435046 0.69 KMT2A (0.53) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13461375 0.64 KMT2A (0.39) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL18950712 0.63 KCNH2 (0.34) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17970190 0.62 KMT2A (0.66) RAB9ANPC1SMN1; SMN2MAPTGSTP1
SCHEMBL22434379 0.62 MEN1 (0.62) RAB9ANPC1SMN1; SMN2MAPTGSTP1
SCHEMBL1263370 0.61 CA12 (0.54) KMT2A

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-2395358-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2017-03-29 — — EP disclosed
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