SCHEMBL9668337

SCHEMBL9668337

CCCC(N)(C(=O)O)C(c1ccc(F)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
AOC3 Q16853 1/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MME P08473 1/20 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
SCHEMBL9669142 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EAOC3HPGDHTT
SCHEMBL9669068 0.86 MEN1 (0.38) AOC3LMNA
SCHEMBL9669476 0.84 GRM2 (0.37) ALDH1A1KDM4EAOC3HTTMME
SCHEMBL9669164 0.77 ARG1 (0.38) LMNA
SCHEMBL9669402 0.76 CYP2D6 (0.38) ALDH1A1KDM4EAOC3HTT
SCHEMBL9669450 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EAOC3HPGDHTT
SCHEMBL9669064 0.74 CYP2C9 (0.40) AOC3LMNA
SCHEMBL8907830 0.73 ALDH1A1 (0.42) ALDH1A1NPSR1
SCHEMBL9667737 0.70 CYP2C9 (0.39) AOC3LMNA
SCHEMBL9667882 0.69 L3MBTL1 (0.38) ALDH1A1KDM4EHPGDHTTLMNA

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