SCHEMBL8411525

SCHEMBL8411525

CC(=O)N(c1ccccc1)c1ccc(OCC(C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 1/20 0.41
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8413254 0.89 PPARG (0.47) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1304682 0.87 ALOX5 (0.43) POLBSMN1; SMN2MTNR1AMTNR1BLMNA
SCHEMBL15866588 0.81 LMNA (0.62) MTNR1AMTNR1BLMNAFFAR1PPARG
SCHEMBL31032939 0.81 LMNA (0.62) MTNR1AMTNR1BLMNAFFAR1PPARG
SCHEMBL787266 0.81 LMNA (0.62) MTNR1AMTNR1BLMNAFFAR1PPARG
Ammonia Solution, Strong SCHEMBL7026341 0.80 LMNA (0.60) MTNR1AMTNR1BLMNAFFAR1PPARG
SCHEMBL7042806 0.79 MAPT (0.58) SMN1; SMN2MTNR1AMTNR1BLMNAPPARG
SCHEMBL8667454 0.79 MAPT (0.58) SMN1; SMN2MTNR1AMTNR1BLMNAPPARG
SCHEMBL1304251 0.78 LDHA (0.41) POLBSMN1; SMN2TSHRKMT2ANPC1
SCHEMBL1305107 0.78 L3MBTL1 (0.41) POLBSMN1; SMN2TSHRLMNAL3MBTL1

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