SCHEMBL5697728

SCHEMBL5697728

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
TSHR P16473 8/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
NAAA Q02083 1/20 0.41
HPGD P15428 1/20 0.40
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ATM Q13315 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL12192531 0.98 HTT (0.62) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL27486544 0.95 HTT (0.54) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL33704 0.90 HTT (0.49) HTTTSHRALDH1A1CYP3A4HPGD
SCHEMBL793169 0.89 NAAA (0.59) HTTTSHRALDH1A1NAAAHPGD
SCHEMBL8516769 0.89 HTT (0.50) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL19130076 0.88 NAAA (0.62) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL28587152 0.88 HTT (0.54) HTTTSHRALDH1A1CYP3A4LMNA
SCHEMBL28805908 0.88 NAAA (0.62) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL27709317 0.88 NAAA (0.62) HTTTSHRALDH1A1CYP3A4NAAA
SCHEMBL27952097 0.88 NAAA (0.62) HTTTSHRALDH1A1CYP3A4NAAA

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-1055554-B1 Seat cover for protecting a motor vehicle seat HORN & BAUER GMBH & CO KG (DE) 2006-06-21 EP claimed
US-9499008-B2 Vehicle wheel BASF SE (DE) 2016-11-22 US disclosed
US-9340068-B2 Vehicle wheel BASF SE (DE) 2016-05-17 US disclosed
US-20140049096-A1 VEHICLE WHEEL BASF SE (DE) 2014-02-20 US disclosed
US-20130221731-A1 WHEEL FOR A MOTOR VEHICLE HUMMEL-FORMEN GMBH (DE) 2013-08-29 US disclosed
US-20130049443-A1 WHEEL FOR A MOTOR VEHICLE BASF SE (DE) 2013-02-28 US disclosed
US-20120212037-A1 VEHICLE WHEEL BASF SE (DE) 2012-08-23 US disclosed