SCHEMBL24800558

SCHEMBL24800558

C=C(C)CCCCCCCCC(N)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ S1PR2 O95136 5/20 0.35
▸ S1PR1 P21453 5/20 0.35
▸ S1PR3 Q99500 5/20 0.35
▸ S1PR4 O95977 4/20 0.35
▸ ENPEP Q07075 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ SPHK1 Q9NYA1 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL20064328 0.98 ALDH1A1 (0.41) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL24799699 0.83 ALDH1A1 (0.40) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL14084132 0.82 — —
SCHEMBL19779375 0.82 — —
SCHEMBL18463229 0.79 ALDH1A1 (0.40) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL16236123 0.79 PLA2G1B (0.46) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL929270 0.79 PLA2G1B (0.46) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL27540086 0.79 PLA2G1B (0.46) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL7049167 0.79 PLA2G1B (0.46) ALDH1A1S1PR2S1PR1S1PR3S1PR4
SCHEMBL11064967 0.79 PLA2G1B (0.46) ALDH1A1S1PR2S1PR1S1PR3S1PR4

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
EP-3612609-B1 ADHESIVE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2022-12-28 — — EP disclosed
Send feedback