SCHEMBL8412730

SCHEMBL8412730

CC(COc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ADRB1 P08588 4/20 0.46
▸ ADRB3 P13945 4/20 0.46
▸ NLRP3 Q96P20 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ RORC P51449 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL8411344 0.89 RORC (0.48) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8411677 0.89 ADRB1 (0.57) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8409841 0.87 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8411536 0.85 RAB9A (0.61) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8410207 0.84 RAB9A (0.56) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL1304060 0.84 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8695260 0.83 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8412806 0.82 GAA (0.61) SMN1; SMN2RAB9ANPC1HPGDADRB1
SCHEMBL8700685 0.79 EPHX2 (0.54) SMN1; SMN2RAB9ANPC1HPGDNLRP3
SCHEMBL6357278 0.77 EPHX2 (0.52) SMN1; SMN2RAB9AHPGDNLRP3ALDH1A1

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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