SCHEMBL7984699

SCHEMBL7984699

O=C(O)c1cccc(Cc2ccc(OCCN3CCOCC3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 10/20 0.72
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PSMB1 P20618 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ BCHE P06276 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ KDR P35968 1/20 0.52

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
SCHEMBL24411018 0.91 LTA4H (0.61) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL4698008 0.85 KDM4E (0.70) KDM4EALDH1A1GAASMN1; SMN2TP53
SCHEMBL7138464 0.84 LTA4H (1.00) LTA4HNPC1RAB9APSMB1PSMB5
SCHEMBL991354 0.82 ALDH1A1 (0.76) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL26975791 0.81 LTA4H (0.56) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL22887464 0.81 LTA4H (0.56) LTA4HKDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7887532 0.81 ALDH1A1 (0.74) LTA4HKDM4EALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL3647200 0.81 EGFR (0.62) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL8536242 0.80 SMN1; SMN2 (0.70) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3366608 0.78 LTA4H (0.78) LTA4HKDM4EALDH1A1GAASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 — — US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 — — EP disclosed
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