SCHEMBL9686340

SCHEMBL9686340

C=CCC(C)(N)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASR P41180 1/20 0.33
ACHE P22303 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
SLC6A2 P23975 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10627850 0.78 MEN1 (0.37) MEN1KMT2ASMN1; SMN2MAPTHTT
Iodide SCHEMBL19307326 0.77 GABRA1 (0.36) MAPTHTTTSHRGABRA1GABRB2
Ammonia Solution, Strong SCHEMBL9687521 0.76 MEN1 (0.36) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL5150512 0.76 GABRA1 (0.42) ATMTSHRGABRA1GABRB2ALDH1A1
SCHEMBL12681582 0.76 MAPT (0.41) MEN1KMT2ASMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL197656 0.75 TDP1 (0.38) MEN1KMT2AMAPTTSHRGABRA1
SCHEMBL8835932 0.75 GABRA1 (0.36) TSHRGABRA1GABRB2ALDH1A1CASR
SCHEMBL5299912 0.72 SLC6A2 (0.55) MEN1KMT2ASMN1; SMN2MAPTGABRA1
SCHEMBL434166 0.72 GABRA1 (0.38) ATMTSHRGABRA1GABRB2ALDH1A1
SCHEMBL11667013 0.71 HTT (0.41) KMT2AMAPTHTTATMTSHR

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-0306389-B1 USE OF MICROCAPSULES IN THE MANUFACTURE OF AN ELASTOMERIC PROPHYLACTIC DEVICE, SUCH AS A CONDOM OR THE LIKE, AND ITS MANUFACTURING PROCESS HUTCHINSON (FR) 1992-07-08 EP claimed
EP-0306389-B1 USE OF MICROCAPSULES IN THE MANUFACTURE OF AN ELASTOMERIC PROPHYLACTIC DEVICE, SUCH AS A CONDOM OR THE LIKE, AND ITS MANUFACTURING PROCESS HUTCHINSON (FR) 1992-07-08 EP disclosed
EP-0306389-A1 Use of microcapsules in the manufacture of an elastomeric prophylactic device, such as a condom or the like, and its manufacturing process HUTCHINSON (FR) 1989-03-08 EP disclosed