SCHEMBL9621897

SCHEMBL9621897

C=C(C)CCCC(C)CCCC(C)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
LMNA P02545 2/20 0.41
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
PTPN1 P18031 3/20 0.39
OPRM1 P35372 1/20 0.38
CA1 P00915 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NFKB1 P19838 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.34

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
SCHEMBL10841660 0.98 ACE2 (0.47) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL2839390 0.96 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL7537037 0.96 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL25801677 0.92 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL28317345 0.92 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL22806986 0.89 ACE2 (0.42) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL22806872 0.88 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL26031421 0.88 ACE2 (0.50) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL30546705 0.87 TSHR (0.42) ACE2LMNAPRKD3PRKCGPRKCB
SCHEMBL1906086 0.85 PTPN1 (0.40) ACE2LMNAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212989-B1 LIPID VESICLES CONTAINING LABELED SPECIES AND THEIR ANALYTICAL USES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-02-19 EP disclosed
US-4752572-A Lipid vesicles containing labeled species and their analytical uses EASTMAN KODAK COMPANY (US) 1988-06-21 US disclosed
EP-0212989-A2 Lipid vesicles containing labeled species and their analytical uses EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-03-04 EP disclosed