SCHEMBL6975810

SCHEMBL6975810

CC(C(=O)O)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.57
LMNA P02545 4/20 0.57
HTT P42858 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.55
PTGS2 P35354 1/20 0.55
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47

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
SCHEMBL17973359 0.88 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL649287 0.87 KMT2A (0.55) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL8823334 0.87 KMT2A (0.55) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL2625198 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTALDH1A1MAPT
Biphenyl SCHEMBL28073453 0.83 PTGS2 (0.61) SMN1; SMN2ALDH1A1MAPTPTGS2PDCD1
Biphenyl SCHEMBL1774586 0.83 PTGS2 (0.61) SMN1; SMN2ALDH1A1MAPTPTGS2PDCD1
SCHEMBL7635145 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL8995348 0.80 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT
Alcohol SCHEMBL28915598 0.80 PGR (0.55) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL1928398 0.80 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134733-A1 TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS TECHFIELDS PHARMA CO., LTD. (CN) 2023-07-20 WO disclosed
EP-1109560-B1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2003-08-27 EP disclosed
US-6525050-B1 Inhibit the enzyme aminoimidazole carboxamide ribonucleotide formyl transferase; antiproliferative agents; antitumor, antiinflammatory, antipsoriatic, and/or immunosuppressive AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-1109560-A4 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMA (US) 2002-04-17 EP disclosed
EP-1109560-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-27 EP disclosed
WO-2000013688-A1 COMPOUNDS USEFUL AS AICARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 2000-03-16 WO disclosed
US-4518608-A INDOMETHALIN WITH HYDROPHILIC COMPOUND FOR PARENTERAL ADMINISTRATION MEDIMPEX GYOGYSZERKUELKERESKEDELMI VAALLALAT (HU) 1985-05-21 US disclosed