SCHEMBL9129474

SCHEMBL9129474

CCCCCCCCC=CCCCCCCCCCCCCCCOCC[N+](C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCZ Q05513 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKD1 Q15139 1/20 0.56
LPAR1 Q92633 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
DNM1 Q05193 2/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CDC25A P30304 1/20 0.45
AGTR1 P30556 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
SCHEMBL9129466 1.00 PRKD3 (0.56) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL902736 0.93 DNM1 (0.50) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL902734 0.93 DNM1 (0.50) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL8848726 0.91 DNM1 (0.52) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL6944334 0.89 LPAR1 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL6944331 0.89 LPAR1 (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8080961 0.88 LPAR1 (0.55) LPAR1LPAR2LPAR3
SCHEMBL8855806 0.88 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855744 0.88 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL5447359 0.88 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH

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-5436234-A Treatment of protozoal and fungal diseases, autoimmune diseases and bone marrow damage MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG (DE) 1995-07-25 US disclosed