SCHEMBL9684946

SCHEMBL9684946

CN1C[S+]([O-])c2cc(CCCCO)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.37
ACHE P22303 2/20 0.37
CA2 P00918 2/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
S1PR1 P21453 2/20 0.32
IGF1R P08069 1/20 0.32
ALOX15 P16050 1/20 0.32
LTB4R Q15722 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
RIPK1 Q13546 2/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 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
SCHEMBL9684037 0.87 S1PR1 (0.38) ACHECA2S1PR1PRKCGPRKCB
SCHEMBL9437752 0.86 THRA (0.31) S1PR1
SCHEMBL9685609 0.85 DRD2 (0.39) CA2S1PR1
Hydrochloric Acid SCHEMBL8870829 0.84 TLR8 (0.35)
SCHEMBL7760492 0.84
SCHEMBL8109680 0.83 L3MBTL1 (0.41) ALOX15
Hydrochloric Acid SCHEMBL8871371 0.82 L3MBTL1 (0.40) ALOX15
SCHEMBL9685749 0.82 CNR1 (0.36) CA2
SCHEMBL8109070 0.81 SIGMAR1 (0.37)
SCHEMBL7761425 0.81 GRIA2 (0.31)

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed