SCHEMBL8599968

SCHEMBL8599968

CCCCCNC(=O)CCc1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ PPARA Q07869 7/20 0.56
▸ POLB P06746 1/20 0.56
▸ PPARG P37231 5/20 0.52
▸ PPARD Q03181 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ FABP2 P12104 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ STS P08842 2/20 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
SCHEMBL2436436 0.91 PPARA (0.59) HPGDPPARAPOLBPPARGPPARD
SCHEMBL5482435 0.88 PPARA (0.59) HPGDPPARAPPARGPPARDALDH1A1
SCHEMBL11571590 0.83 PPARA (0.74) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL3841460 0.82 PPARA (0.59) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL8594554 0.81 EPHX2 (0.63) HPGDPPARAPPARGALDH1A1STS
SCHEMBL11367962 0.81 HPGD (0.82) HPGDPOLB
SCHEMBL22291866 0.81 POLB (0.81) HPGDPOLBALDH1A1
SCHEMBL9760648 0.80 MGLL (0.63) —
SCHEMBL11571923 0.79 PPARA (0.71) PPARAPPARGPPARDALDH1A1FABP2
SCHEMBL2187602 0.79 HPGD (1.00) HPGD

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 6 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
US-5591892-A CARBOXYALKOXYPHENYL SUBSTITUTED INDANES CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-01-07 — — US disclosed
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