SCHEMBL8991673

SCHEMBL8991673

CC1(C)[C@H]2CC[C@H](C(S)CO)[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.37
MAPK14 Q16539 1/20 0.37
CAMK1D Q8IU85 1/20 0.37
HDAC6 Q9UBN7 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL3652310 0.73 RET (0.41) RETMAPK14CAMK1DHDAC6
SCHEMBL7548305 0.72 RET (0.33) RETMAPK14CAMK1D
Glycerin SCHEMBL27356933 0.68 RET (0.37) RETMAPK14CAMK1D
SCHEMBL31089443 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL3653708 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL596246 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL14452951 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL3651148 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL31509006 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15
SCHEMBL3653711 0.67 RET (0.53) RETMAPK14CAMK1DHDAC6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491263-B1 Phenylalkylaminoalkyl compounds; process for their preparation and pharmaceutical compositions containing same KALI CHEMIE PHARMA GMBH (DE) 1996-07-24 EP disclosed
EP-0491243-B1 Alkylaminoalkylamino and -ether compounds as well as processes and intermediates for their preparation, and medicaments containing these compounds KALI CHEMIE PHARMA GMBH (DE) 1996-05-15 EP disclosed
EP-0491243-A1 Alkylaminoalkylamino and -ether compounds as well as processes and intermediates for their preparation, and medicaments containing these compounds Kali-Chemie Pharma GmbH (DE) 1992-06-24 EP disclosed
EP-0491263-A1 Phenylalkylaminoalkyl compounds; process for their preparation and pharmaceutical compositions containing same Kali-Chemie Pharma GmbH (DE) 1992-06-24 EP disclosed