SCHEMBL9669164

SCHEMBL9669164

CCCCCC(N)(C(=O)O)C(c1ccc(Cl)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
SCN5A Q14524 3/20 0.36
SCN9A Q15858 3/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PRCP P42785 2/20 0.35
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
FFAR2 O15552 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL9669068 0.91 MEN1 (0.38) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9669064 0.85 CYP2C9 (0.40) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9667737 0.81 CYP2C9 (0.39) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9777050 0.77 CYP2C9 (0.36) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9668129 0.77 CYP2C9 (0.36) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9669215 0.77 CYP2C9 (0.38) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9668337 0.77 ALDH1A1 (0.36) LMNA
SCHEMBL9668295 0.76 FFAR2 (0.41) PRCPGABBR2GABBR1LMNACYP2C9
SCHEMBL9669142 0.71 ALDH1A1 (0.38) LMNACYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL9669099 0.70 LMNA (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293351-B1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed
US-4990534-A Aralkyl esters and processes for their preparation AKTIEBOLAGET ASTRA (SE) 1991-02-05 US disclosed
EP-0362264-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1990-04-11 EP disclosed
WO-1988009327-A1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1988-12-01 WO disclosed
EP-0293351-A2 New aralkyl esters and processes for their preparation AKTIEBOLAGET ASTRA (SE) 1988-11-30 EP disclosed