SCHEMBL26029313

SCHEMBL26029313

COCC1CC[C@@H]2CC1C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
MAPK14 Q16539 1/20 0.43
CAMK1D Q8IU85 1/20 0.43
S1PR1 P21453 1/20 0.40
SCN9A Q15858 8/20 0.36
SCN5A Q14524 1/20 0.36
TBXA2R P21731 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALOX15 P16050 1/20 0.35
EPHX2 P34913 1/20 0.35
CXCR3 P49682 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CACNA1C Q13936 1/20 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
SCHEMBL12016016 1.00 RET (0.43) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL1724228 0.82 RET (0.45) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL12203980 0.82 RET (0.45) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL3230939 0.82 RET (0.39) RETMAPK14CAMK1DS1PR1SCN9A
Hydrochloric Acid SCHEMBL1715207 0.81 RET (0.44) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL19139246 0.81 RET (0.41) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL10447713 0.81 RET (0.41) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL28013347 0.78 CDK5 (0.33) RETMAPK14CAMK1DS1PR1
SCHEMBL4411047 0.77 RET (0.46) RETMAPK14CAMK1DS1PR1SCN9A
SCHEMBL11340141 0.77 RET (0.41) RETMAPK14CAMK1DS1PR1SCN9A

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-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed