SCHEMBL7606440

SCHEMBL7606440

CCCC(OCC)(OCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.36
SCN1A P35498 3/20 0.36
SCN2A Q99250 3/20 0.36
SCN3A Q9NY46 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL6755985 0.86 LTA4H (0.37) KCNN4CYP3A4CYP2D6SIGMAR1MEN1
SCHEMBL15899496 0.84 LMNA (0.40) KCNN4LMNASCN1ASCN2ASCN3A
SCHEMBL3972776 0.83 SIGMAR1 (0.37) MAPK1LMNACYP3A4SIGMAR1MEN1
SCHEMBL5962153 0.83 KCNN4 (0.40) KCNN4MAPK1LMNACYP3A4CYP2D6
SCHEMBL9187550 0.81 KCNN4 (0.41) KCNN4MAPK1LMNASCN1ASCN2A
SCHEMBL479127 0.79 KCNN4 (0.38) KCNN4MAPK1LMNACYP3A4CYP2D6
SCHEMBL4058230 0.79 TAAR1 (0.48) KCNN4MAPK1KIF11TAAR1
SCHEMBL3891423 0.79 KCNN4 (0.38) KCNN4MAPK1LMNACYP3A4CYP2D6
SCHEMBL3663149 0.78 CYP1A2 (0.45) KCNN4LMNACYP3A4CYP2D6CYP1A2
SCHEMBL28893285 0.78 MAPK1 (0.40) KCNN4MAPK1LMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975570-B1 PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES COGNIS DEUTSCHLAND GMBH (DE) 2002-09-04 EP claimed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
EP-0975570-B1 PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES COGNIS DEUTSCHLAND GMBH (DE) 2002-09-04 EP disclosed
US-6376457-B1 1-(1,1-DIETHOXYETHYL)-2,4-DIMETHYL BENZENE; DETERGENT, CLEANER, FABRIC SOFTENER, TEXTILE TREATMENT OR COSMETIC COMPOSITION. HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-23 US disclosed
EP-0975570-A1 PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES Cognis Deutschland GmbH (DE) 2000-02-02 EP disclosed
WO-1998045236-A1 PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES COGNIS DEUTSCHLAND GMBH (DE) 1998-10-15 WO disclosed