SCHEMBL30997679

SCHEMBL30997679

CCCCCCCCCCCC(=O)C(NCCC)C(=O)CCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CES1 P23141 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ GPR84 Q9NQS5 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 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
SCHEMBL115899 0.81 CES2 (0.50) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL739220 0.81 CES2 (0.50) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL115456 0.81 CES2 (0.50) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21046434 0.78 CA12 (0.42) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL31588456 0.76 MEN1 (0.55) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23092235 0.74 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL16198753 0.74 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL19508724 0.74 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL27335462 0.74 CES2 (0.52) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL1116194 0.74 PLA2G2A (0.49) CES2MEN1FAAHKMT2AALDH1A1

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-118175983-A Hair treatment composition 莱雅公司 2024-06-11 — — CN disclosed
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