SCHEMBL11436618

SCHEMBL11436618

C=CC(NCC(=C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 3/20 0.35
TRPA1 O75762 1/20 0.35
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP3A4 P08684 3/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
APAF1 O14727 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL10979420 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNAHPGDSMN1; SMN2CYP2C19
SCHEMBL10985417 0.81 CYP2C19 (0.43) ALDH1A1LMNASMN1; SMN2CYP2C19MTOR
SCHEMBL4445401 0.77 MTOR (0.52) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL4841608 0.75 TAAR1 (0.40) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL10989196 0.75 RAB9A (0.41) ALDH1A1LMNAHTTSMN1; SMN2CYP2C19
SCHEMBL3297741 0.74 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL3293876 0.73 SMN1; SMN2 (0.59) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL4843164 0.73 SMN1; SMN2 (0.59) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL11830020 0.72 APAF1 (0.44) ALDH1A1LMNAMAPTHTTHPGD
Hydrochloric Acid SCHEMBL10586766 0.71 HTT (0.38) ALDH1A1HTTHPGDSMN1; SMN2CYP2C19

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-0008884-A1 Derivatives of clavulanic acid, a process for their preparation and their compositions BEECHAM GROUP PLC (GB) 1980-03-19 EP disclosed