SCHEMBL7708414

SCHEMBL7708414

CC(=O)C1=C(C)C(=O)CCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TRPA1 O75762 2/20 0.32
CYP3A4 P08684 1/20 0.31
SHBG P04278 1/20 0.31
FFAR3 O14843 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
SCHEMBL11394565 0.84 MAPT (0.40) MAPTALOX15ESR1ESR2TRPA1
SCHEMBL6562453 0.83 TRPA1 (0.38) MAPTALOX15TRPA1
SCHEMBL10457193 0.78 MAPT (0.39) MAPTALOX15ESR1ESR2TRPA1
SCHEMBL10650334 0.77 KDM4E (0.42) MAPTALOX15TRPA1
SCHEMBL10380096 0.77 MAPT (0.41) MAPTALOX15TRPA1
SCHEMBL10378788 0.77 MAPT (0.41) MAPTALOX15TRPA1
SCHEMBL10379604 0.74 MAPT (0.37) MAPTALOX15ESR1ESR2TRPA1
SCHEMBL4274331 0.72 MAPT (0.42) MAPTALOX15ESR1ESR2TRPA1
SCHEMBL855995 0.72 MAPT (0.41) MAPTALOX15ESR1ESR2TRPA1
SCHEMBL5710148 0.72 SMN1; SMN2 (0.34)

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
US-6352703-B1 APPLYING POISON AND FEEDING STIMULANT COMPRISING NAPHTHALENE, 2,6-DI-TERT-BUTYL-4-METHYLPHENOL, ERGOSTEROL, DIOCTYL ADIPATE, AND/OR DIOCTYL PHTHALATE; INCREASED CONSUMPTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-03-05 US disclosed
WO-1999029172-A1 COMPOSITIONS AND METHODS FOR DETECTING AND KILLING TERMITES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITYAND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-06-17 WO disclosed
US-4914229-A SCENTS, INTERMEDIATES FOR CAROTENOIDS BASF AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
US-4550211-A Preparation of compounds of the 4-oxodamascone series, and novel scents from this class of compounds BASF AKTIENGESELLSCHAFT (DE) 1985-10-29 US disclosed
EP-0119546-A2 Process for the preparation of compounds of the 4-oxo-damascon series, and perfumes of this compound class BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed