SCHEMBL6212296

SCHEMBL6212296

CCC1Oc2ccccc2C=C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
PTGS2 P35354 10/20 0.43
PTGS1 P23219 5/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL27760751 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL6438423 0.84 KDM4E (0.40) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL212954 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL5982033 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL3198393 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL10512942 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL1772589 0.75 KDM4E (0.43) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL14321592 0.75 ALOX5 (0.44) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL10597711 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDPTGS2PTGS1
SCHEMBL5794328 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDPTGS2PTGS1

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
WO-2023094734-A1 LIGANDS SPECIFICALLY TARGETING VESICULAR GLUTAMATE TRANSPORTERS FOR SUPER-RESOLUTION IMAGING Sorbonne Université (FR) 2023-06-01 WO disclosed
EP-1509217-A1 MONOTHERAPY FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) Pharmacia Corporation (US) 2005-03-02 EP disclosed
WO-2003101441-A1 MONOTHERAPY FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH CYCLOOXYGENASE-2 (COX 2) INHIBITOR(S) PHARMACIA CORPORATION (US) 2003-12-11 WO disclosed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed