SCHEMBL28901737

SCHEMBL28901737

CC=C(N)CCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
FAAH O00519 3/20 0.50
SOAT1 P35610 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
KDM4E B2RXH2 2/20 0.45
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
GPR84 Q9NQS5 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 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
SCHEMBL21602979 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL21602978 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4358496 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL8459953 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL16302453 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL13448422 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL5691700 1.00 SPHK2 (0.54) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL23273576 0.97
SCHEMBL7958181 0.97
Hydrochloric Acid SCHEMBL28461781 0.95 SPHK2 (0.48) SPHK2SPHK1FAAHSOAT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115780097-A Beneficiation reagent for copper-molybdenum ore flotation blue-molybdenum and preparation method thereof 新疆白银矿业开发有限公司 2023-03-14 CN claimed
CN-115780097-A Beneficiation reagent for copper-molybdenum ore flotation blue-molybdenum and preparation method thereof 新疆白银矿业开发有限公司 2023-03-14 CN disclosed
CN-115780097-A Beneficiation reagent for copper-molybdenum ore flotation blue-molybdenum and preparation method thereof 新疆白银矿业开发有限公司 2023-03-14 CN disclosed
CN-115433184-A HPK1 inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2022-12-06 CN disclosed
CN-115279760-A Novel HPK1 inhibitor and preparation method and application thereof 轶诺(浙江)药业有限公司 2022-11-01 CN disclosed