SCHEMBL11084180

SCHEMBL11084180

COC(=O)CN1CC(C)CC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL9939509 0.92 TSHR (0.39) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL19010647 0.79 TSHR (0.39) KDM4EGAASMN1; SMN2TSHRJAK2
SCHEMBL12226437 0.77 KDM4E (0.51) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL11079865 0.77 KDM4E (0.51) KDM4ERAB9ALMNAALDH1A1MEN1
SCHEMBL2663389 0.76 SMN1; SMN2 (0.51) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9148809 0.76 TSHR (0.36) KDM4ESMN1; SMN2TSHR
SCHEMBL9148812 0.76 TSHR (0.36) KDM4ESMN1; SMN2TSHR
SCHEMBL9148823 0.76 TSHR (0.36) KDM4ESMN1; SMN2TSHR
SCHEMBL10774433 0.75 TSHR (0.48) KDM4ELMNAMEN1KMT2AGAA
SCHEMBL16199661 0.74 JAK2 (0.38) SMN1; SMN2POLBTSHRJAK2JAK1

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
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US disclosed