SCHEMBL9667882

SCHEMBL9667882

CCC(C(=O)O)(C(c1ccc(F)cc1)C(C)C)[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MME P08473 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 1/20 0.32
CTSL P07711 2/20 0.32

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
SCHEMBL9669450 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHTTLMNANPSR1
SCHEMBL9669142 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EHTTLMNANPSR1
SCHEMBL9668337 0.69 ALDH1A1 (0.36) ALDH1A1KDM4EHTTLMNANPSR1
SCHEMBL9669402 0.68 CYP2D6 (0.38) ALDH1A1KDM4EHTTCYP2D6CYP2C9
SCHEMBL9669476 0.68 GRM2 (0.37) ALDH1A1KDM4EHTTMMECTSL
SCHEMBL9776960 0.67 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAMAPTCYP3A4
SCHEMBL19368215 0.65 AOC3 (0.38) ALDH1A1HTTLMNA
SCHEMBL26239390 0.64 MME (0.39) ALDH1A1KDM4EHTTLMNANPSR1
SCHEMBL19368231 0.64 AOC3 (0.39) ALDH1A1KDM4EHTT
SCHEMBL11219293 0.63 ALDH1A1 (0.33) ALDH1A1

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
EP-0293351-B1 NEW ARALKYL ESTERS AND PROCESSES FOR THEIR PREPARATION AKTIEBOLAGET ASTRA (SE) 1992-03-25 EP disclosed