SCHEMBL7718829

SCHEMBL7718829

CCCCCCCCCCCCCC(N)=C(N)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.56
SPHK1 Q9NYA1 1/20 0.56
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 5/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL1531606 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL11154561 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL29108821 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL26632863 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL23358828 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL23358989 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL29108814 1.00 SPHK2 (0.56) SPHK2SPHK1CES2CES1MEN1
SCHEMBL23358970 0.97 SPHK2 (0.52) SPHK2SPHK1CES2CES1MEN1
SCHEMBL10702830 0.88
SCHEMBL239131 0.85 SPHK2 (0.35) SPHK2SPHK1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585673-B Asphalt additive 奥升德功能材料运营有限公司 2023-11-14 CN disclosed
US-6382136-B1 Method for treating the hooves of mammals especially cattle HENKEL ECOLAB GMBH & CO. OHG (DE) 2002-05-07 US disclosed