SCHEMBL3407325

SCHEMBL3407325

CCC(CC)CCC(=O)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.38
CA1 P00915 2/20 0.34
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3408361 0.86 CA2 (0.59) CA2TDP1ALDH1A1CA1CYP3A4
SCHEMBL11561311 0.83 CA2 (0.46) CA2TDP1ALDH1A1CA1CYP3A4
SCHEMBL110158 0.80 CA1 (0.52) CA2TDP1ALDH1A1CYP2C19CA1
SCHEMBL17971175 0.80 CYP2C19 (0.41) CA2TDP1ALDH1A1CYP2C19CA1
SCHEMBL20838317 0.78 TDP1 (0.45) CA2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL15345276 0.76 ALDH1A1 (0.46) CA2TDP1ALDH1A1CYP2C19CA1
SCHEMBL20838324 0.76 CA2 (0.47) CA2TDP1ALDH1A1CYP3A4TSHR
SCHEMBL18161881 0.76 CA1 (0.48) CA2TDP1ALDH1A1CYP2C19CA1
SCHEMBL104701 0.75
SCHEMBL4613443 0.74 GABRR1 (0.42) CA2TDP1ALDH1A1CA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242062-B2 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. (US) 2012-08-14 US disclosed
EP-2264130-A2 Ims detection of chemical markers in petroleum products Authentix, Inc. (US) 2010-12-22 EP disclosed
US-20070212785-A1 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2007-09-13 US disclosed
EP-1588174-A4 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX INC (US) 2007-04-25 EP disclosed
US-7208451-B2 IMS detection of chemical markers in petroleum products AUTHENTIC INC. (US) 2007-04-24 US disclosed
EP-1588174-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS Authentix, Inc. (US) 2005-10-26 EP disclosed
WO-2004068113-A2 IMS DETECTION OF CHEMICAL MARKERS IN PETROLEUM PRODUCTS AUTHENTIX, INC. (US) 2004-08-12 WO disclosed
US-20040147413-A1 IMS detection of chemical markers in petroleum products AUTHENTIX, INC. 2004-07-29 US disclosed
US-3975373-A CYCLOPENTANONE HELVETICOSIDE JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-08-17 US disclosed
US-3951946-A Cardioglycoside derivatives of the strophanthidin type, a process for their manufacture and medicinal preparations containing these compounds JOHANN A. WULFING FABRIK PHARMAZEUTISCHER PRAPARATE (DT) 1976-04-20 US disclosed