SCHEMBL8627520

SCHEMBL8627520

CCCCCOC(=O)Nc1ccc(OCC(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ FAAH O00519 14/20 0.56
▸ CASP1 P29466 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ GAA P10253 1/20 0.51
▸ S1PR1 P21453 1/20 0.50
▸ S1PR3 Q99500 1/20 0.50

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
SCHEMBL14977147 0.81 L3MBTL1 (0.62) L3MBTL1GAAS1PR1S1PR3
SCHEMBL14977426 0.81 L3MBTL1 (0.62) L3MBTL1GAAS1PR1S1PR3
SCHEMBL8594796 0.81 L3MBTL1 (0.62) L3MBTL1GAAS1PR1S1PR3
SCHEMBL14977512 0.81 L3MBTL1 (0.62) L3MBTL1GAAS1PR1S1PR3
SCHEMBL12411578 0.80 RAB9A (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL7564852 0.80 RAB9A (0.79) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL16374712 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL27887839 0.79 FAAH (0.67) NPC1RAB9AHPGDL3MBTL1FAAH
SCHEMBL9702872 0.78 FAAH (0.69) FAAH
SCHEMBL21059248 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1

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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