SCHEMBL23748795

SCHEMBL23748795

Cc1cc(C)n(C2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
KCNJ6 P48051 6/20 0.39
KCNJ3 P48549 6/20 0.39
KCNJ5 P48544 5/20 0.39
KDM5A P29375 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL3364096 0.98 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2
SCHEMBL31462462 0.98 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2
SCHEMBL15935405 0.91 SMN1; SMN2 (0.41) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2
SCHEMBL28720539 0.84 SMN1; SMN2 (0.38) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2
SCHEMBL13135665 0.82 ALOX15 (0.51) SIGMAR1SMN1; SMN2KDM5ADRD2DRD4
SCHEMBL15832226 0.82 SIGMAR1 (0.43) KDM4EALDH1A1SIGMAR1SMN1; SMN2KCNJ6
SCHEMBL2852441 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2KDM5A
SCHEMBL21024021 0.82 SMN1; SMN2 (0.38) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2
SCHEMBL18865625 0.81 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KDM5ADRD2DRD4
SCHEMBL17053344 0.81 SIGMAR1 (0.40) KDM4EALDH1A1HSD17B10SIGMAR1SMN1; SMN2

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-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed