SCHEMBL8559049

SCHEMBL8559049

CCCCCCNC(=O)c1ccc(OCC(C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ NAAA Q02083 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ PPARG P37231 2/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MLYCD O95822 1/20 0.52
▸ CA2 P00918 1/20 0.51
▸ FOLH1 Q04609 3/20 0.51
▸ PLA2G4B P0C869 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ACAT1 P24752 1/20 0.49

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
SCHEMBL11758823 0.83 NPC1 (0.72) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL9490019 0.83 NPC1 (0.72) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL11758728 0.82 NPC1 (0.77) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL8559951 0.81 LMNA (0.56) KMT2ASMN1; SMN2
SCHEMBL11501423 0.81 L3MBTL1 (0.55) NPC1L3MBTL1PLA2G4B
SCHEMBL8599971 0.80 HPGD (0.61) KMT2A
SCHEMBL9504178 0.79 L3MBTL1 (0.86) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL9265536 0.79 L3MBTL1 (0.86) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL845966 0.79 L3MBTL1 (0.86) NPC1RAB9ANAAAL3MBTL1MEN1
SCHEMBL6535660 0.79 L3MBTL1 (0.86) NPC1RAB9ANAAAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5927283-A TREATING DISEASES INVOLVING OXYGEN DEFICIENCY, IN WOUND HEALING, AND IN RESTORING OXYGEN AFFINITY OF STORED BLOOD. VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-07-27 — — US disclosed
US-5872282-A MAINTAIN OXYGEN AFFINITY IN BLOOD WHEN STORED VIRGINIA COMMONWEALTH UNIVERSITY (US) 1999-02-16 — — US disclosed
US-5731454-A Allosteric modifiers of hemoglobin useful for decreasing oxygen affinity and preserving oxygen carrying capability of stored blood VIRGINIA COMMONWEALTH UNIVERSITY (US) 1998-03-24 — — US disclosed
US-5705521-A Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-01-06 — — US disclosed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 — — US disclosed
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