SCHEMBL28865600

SCHEMBL28865600

CCCCCCCCCCCCC(C)(N)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
S1PR5 Q9H228 1/20 0.55
TDP1 Q9NUW8 3/20 0.52
FFAR1 O14842 2/20 0.52
CPT2 P23786 1/20 0.52
SMPD1 P17405 2/20 0.46
FDPS P14324 1/20 0.46
GPR84 Q9NQS5 6/20 0.45
PPARG P37231 6/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 6/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45

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
SCHEMBL28283890 1.00 S1PR4 (0.55) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL17891333 0.98 S1PR4 (0.52) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL2036002 0.92 S1PR4 (0.50) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL6668496 0.92 S1PR4 (0.50) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL9519196 0.83 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5TDP1
SCHEMBL8382759 0.83 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5TDP1
Myristic Acid SCHEMBL9043853 0.82 GPR84 (0.65) TDP1FFAR1GPR84PPARGPPARD
SCHEMBL1030691 0.82 TDP1 (0.48) TDP1FFAR1CPT2SMPD1FDPS
SCHEMBL7882860 0.82 GPR84 (0.52) TDP1FFAR1CPT2GPR84PPARG
SCHEMBL639593 0.81 KMT2A (0.47) TDP1FFAR1SMPD1FDPSGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108641699-A Slickwater fracturing fluid with high imbibition efficiency and preparation method thereof 中国石油天然气股份有限公司 2018-10-12 CN disclosed