SCHEMBL28865601

SCHEMBL28865601

CCCCCCCCCCCCC(C)(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.46
FDPS P14324 2/20 0.46
CES2 O00748 1/20 0.41
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
GPR84 Q9NQS5 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE4A P27815 1/20 0.40

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
SCHEMBL28283891 1.00 SMPD1 (0.46) SMPD1FDPSCES2PPARGPPARD
SCHEMBL3997959 0.98 FDPS (0.44) SMPD1FDPSCES2PPARGPPARD
SCHEMBL4902448 0.92 FDPS (0.42) SMPD1FDPSPPARGPPARDPPARA
SCHEMBL20854581 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL20854577 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL25272453 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL20854583 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL20853888 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL20853966 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84
SCHEMBL20854006 0.87 CES2 (0.47) CES2PPARGPPARDPPARAGPR84

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