SCHEMBL17616871

SCHEMBL17616871

CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 1/20 0.64
ATM Q13315 1/20 0.64
ALDH1A1 P00352 3/20 0.54
CA2 P00918 1/20 0.54
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
LMNA P02545 2/20 0.50
CTSK P43235 1/20 0.49
MAPK1 P28482 2/20 0.47
DGKA P23743 1/20 0.47
LPAR1 Q92633 3/20 0.46
PTGES O14684 3/20 0.46
ALOX5 P09917 3/20 0.46
PPARG P37231 3/20 0.46
TLR2 O60603 2/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44

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
SCHEMBL17616866 0.99 CYP3A4 (0.66) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL25778290 0.91 CYP3A4 (0.69) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL19024922 0.90 CYP3A4 (0.67) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL19024893 0.89 CYP3A4 (0.64) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14672346 0.88 CYP3A4 (0.68) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL14672533 0.88 CYP3A4 (0.68) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL3683407 0.86 CYP3A4 (0.69) CYP3A4TDP1TSHRATMALDH1A1
SCHEMBL873938 0.85 DGKA (0.66) TDP1CTSKDGKAALOX5
SCHEMBL10766992 0.85 DGKA (0.66) TDP1CTSKDGKAALOX5
SCHEMBL873318 0.85 DGKA (0.66) TDP1CTSKDGKAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9728220-B2 Charge control agent for fluid dynamic bearing motor lubricant WESTERN DIGITAL TECHNOLOGIES, INC. (US) 2017-08-08 US disclosed
US-9728220-B2 Charge control agent for fluid dynamic bearing motor lubricant WESTERN DIGITAL TECHNOLOGIES, INC. (US) 2017-08-08 US disclosed
US-20160260453-A1 CHARGE CONTROL AGENT FOR FLUID DYNAMIC BEARING MOTOR LUBRICANT HGST Netherlands B.V. 2016-09-08 US disclosed
US-20160260453-A1 CHARGE CONTROL AGENT FOR FLUID DYNAMIC BEARING MOTOR LUBRICANT HGST Netherlands B.V. 2016-09-08 US disclosed
US-9368150-B2 Charge control agent for fluid dynamic bearing motor lubricant HGST Netherlands B.V. (NL) 2016-06-14 US disclosed
US-9368150-B2 Charge control agent for fluid dynamic bearing motor lubricant HGST Netherlands B.V. (NL) 2016-06-14 US disclosed
US-20160086631-A1 CHARGE CONTROL AGENT FOR FLUID DYNAMIC BEARING MOTOR LUBRICANT HGST Netherlands B.V. (NL) 2016-03-24 US disclosed
US-20160086631-A1 CHARGE CONTROL AGENT FOR FLUID DYNAMIC BEARING MOTOR LUBRICANT HGST Netherlands B.V. (NL) 2016-03-24 US disclosed