SCHEMBL4119828

SCHEMBL4119828

CCCN(CCC(C)(C)C)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2.CCN(C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2)c1nccs1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
DYRK1A Q13627 1/20 0.30
TSPO P30536 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4580316 0.90 L3MBTL1 (0.37) L3MBTL1ALDH1A1KDM4EMAPK1HTT
SCHEMBL4580656 0.88 KDM4E (0.36) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4119831 0.85 KDM4E (0.30) ALDH1A1KDM4EUSP2HPGD
SCHEMBL4104812 0.84 TSPO (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3988525 0.83 KDM4E (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4119752 0.81 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EMAPK1HTT
SCHEMBL4102580 0.80 KDM4E (0.38) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3985323 0.78 KDM4E (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3985510 0.77 TSPO (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3988517 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EMAPK1HTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 EP disclosed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 EP disclosed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 WO disclosed