SCHEMBL4787188

SCHEMBL4787188

CCCCCCCCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.76
SIRT1 Q96EB6 9/20 0.76
CTSL P07711 1/20 0.65
CTSS P25774 1/20 0.65
SIRT3 Q9NTG7 6/20 0.65
TGM2 P21980 1/20 0.60
MME P08473 1/20 0.59
ECE1 P42892 1/20 0.59
FOLH1 Q04609 1/20 0.58

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
SCHEMBL2963543 1.00 SIRT2 (0.76) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL21357647 1.00 SIRT2 (0.76) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL7689520 1.00 SIRT2 (0.76) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL17279329 0.99 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL11308449 0.99 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL17694104 0.99 SIRT2 (0.74) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL150166 0.95 CTSL (0.72) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL11332452 0.95 CTSL (0.72) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL4126228 0.95 CTSL (0.72) SIRT2SIRT1CTSLCTSSSIRT3
Hydrochloric Acid SCHEMBL4438043 0.93 CTSL (0.70) SIRT2SIRT1CTSLCTSSSIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 WO disclosed
WO-2007146867-A2 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES INC. (US) 2007-12-21 WO disclosed
EP-0917474-B1 PSEUDOPOLYROTAXANES SCHERING AG (DE) 2002-12-18 EP disclosed
US-6068831-A NEW METAL COMPLEX-CONTAINING OR IODINE-CONTAINING BENZENE DERIVATIVES THAT CONTAIN PSEUDOPOLYROTAXANES THAT ARE VALUABLE COMPOUNDS FOR DIAGNOSTIC RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
EP-0917474-A2 PSEUDOPOLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1999-05-26 EP disclosed
WO-1998001163-A2 PSEUDOPOLYROTAXANES SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-15 WO disclosed