SCHEMBL8470183

SCHEMBL8470183

O=C(CCCCC(=O)Oc1cccc(C(=O)O)c1)Oc1cccc(C(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
NR4A2 P43354 7/20 0.51
KMT2A Q03164 1/20 0.51
FOLH1 Q04609 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
KMO O15229 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL9764089 0.93 KMT2A (0.56) AKR1C3KMT2ASMN1; SMN2PLA2G4B
SCHEMBL14672405 0.90 PLA2G4B (0.59) KMT2ASMN1; SMN2PLA2G4B
SCHEMBL8470180 0.90 AKR1C3 (0.47) AKR1C3NR4A2KMT2AFOLH1PRSS1
SCHEMBL11557990 0.85 KMT2A (0.62) AKR1C3NR4A2KMT2ANPC1RAB9A
SCHEMBL25527238 0.85 FOLH1 (0.54) AKR1C3NR4A2KMT2AFOLH1KMO
SCHEMBL29055862 0.82 FAAH (0.44) PRSS1PRSS2PRSS3
SCHEMBL6688930 0.81 AKR1C3 (0.56) AKR1C3NR4A2KMT2AFOLH1KMO
SCHEMBL29492633 0.81 KMT2A (0.61) AKR1C3NR4A2KMT2AKMOHTT
SCHEMBL4250289 0.81 KMT2A (0.61) AKR1C3NR4A2KMT2AKMOHTT
SCHEMBL6693659 0.81 AKR1C3 (0.56) AKR1C3NR4A2KMT2AFOLH1KMO

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-1999007748-A1 POLYMER PURIFICATION PROCESSES CIBA SPECIALTY CHEMICALS WATER TREAMENTS LIMITED (GB) 1999-02-18 WO disclosed