SCHEMBL8411536

SCHEMBL8411536

CC(COc1ccc(CC(=O)Nc2ccccc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ EPHX2 P34913 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ NLRP3 Q96P20 2/20 0.52
▸ KLK7 P49862 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ KDR P35968 1/20 0.48

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
SCHEMBL8695260 0.90 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8410207 0.89 RAB9A (0.56) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8412806 0.89 GAA (0.61) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8411677 0.89 ADRB1 (0.57) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8409841 0.86 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8700685 0.86 EPHX2 (0.54) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8412730 0.85 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8411344 0.84 RORC (0.48) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL1304060 0.83 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8609579 0.83 NPC1 (0.65) RAB9ANPC1HPGDALDH1A1MAPT

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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