SCHEMBL27522012

SCHEMBL27522012

[CH2]C(C)C(=O)CCCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
MEN1 O00255 1/20 0.55
FAAH O00519 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
CES1 P23141 3/20 0.52
GPR84 Q9NQS5 2/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
TLR2 O60603 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL27875759 1.00 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL20446673 1.00 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL27496783 1.00 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL27514743 1.00 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL28639361 0.98 CES2 (0.56) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL25403709 0.91
SCHEMBL14976297 0.84 CES2 (0.61) CES2MEN1KMT2ACES1GPR84
SCHEMBL430824 0.84 CES2 (0.61) CES2MEN1KMT2ACES1GPR84
SCHEMBL2440945 0.84 CES2 (0.61) CES2MEN1KMT2ACES1GPR84
SCHEMBL2442645 0.84 CES2 (0.61) CES2MEN1KMT2ACES1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040781-A Formulation of conjugate of TUBULYSIN derivative and cell binding molecule 杭州多禧生物科技有限公司 2022-02-11 CN claimed
CN-108042799-A cationic oil-in-water emulsion 诺华股份有限公司 2018-05-18 CN disclosed
CN-101617995-B Composition with sweat-restricting, deodorization and washing functions INST OF RADIATION MEDICINE THE ACADEMY OF MILITARY MEDICAL SCIENCES 2012-01-11 CN disclosed
CN-101617995-A Composition with sweat-restricting, deodorization and washing functions INST OF RADIATION & RADICALIZA 2010-01-06 CN disclosed
CN-1242037-C Detergent composition NOF CORP (JP) 2006-02-15 CN disclosed
CN-1537158-A Detergent composition 日本油脂株式会社 2004-10-13 CN disclosed