SCHEMBL8409841

SCHEMBL8409841

Cc1cc(C)cc(NC(=O)Cc2ccc(OCC(C)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ NLRP3 Q96P20 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ GAA P10253 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
SCHEMBL8695260 0.89 SMN1; SMN2 (0.56) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL8412730 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL8411536 0.86 RAB9A (0.61) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL8411344 0.86 RORC (0.48) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL8410207 0.83 RAB9A (0.56) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL8412806 0.83 GAA (0.61) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL8411677 0.83 ADRB1 (0.57) SMN1; SMN2HPGDRAB9ANPC1ALDH1A1
SCHEMBL6357275 0.82 EPHX2 (0.48) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL12998282 0.82 MEN1 (0.53) SMN1; SMN2HPGDRAB9ANPC1NLRP3
SCHEMBL8700410 0.81 ALDH1A1 (0.47) SMN1; SMN2HPGDRAB9ANPC1NLRP3

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 10 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 claimed
US-5827888-A ADMINISTERING 2-(4-((((3,5-DIMETHYLPHENYL)AMINO)CARBONYL)METHYL)PHENOXY)-2-M ETHYL PROPIONIC ACID THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-10-27 — — US claimed
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 claimed
US-5677330-A THERAPY HYPOXIA, HYPOTHERMIA, ISCHEMIC, WOUNDS, ULCERS, TISSUE TRANSPLANTS, SESPIS THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-10-14 — — US claimed
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-5827888-A ADMINISTERING 2-(4-((((3,5-DIMETHYLPHENYL)AMINO)CARBONYL)METHYL)PHENOXY)-2-M ETHYL PROPIONIC ACID THE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1998-10-27 — — 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
Send feedback