SCHEMBL11728796

SCHEMBL11728796

CCC(C(=O)O)N1C(C)CCCC1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.36
ACE P12821 4/20 0.36
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL18939488 0.85 ACE (0.42) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL18519293 0.85 RECQL (0.36) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL28751706 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL11614822 0.77 SLC6A2 (0.50) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL11614824 0.77 SLC6A2 (0.50) MEN1KMT2AALDH1A1GLAHPGD
SCHEMBL27822771 0.77 RECQL (0.36) KMT2AALDH1A1GLAHPGDRECQL
SCHEMBL27800027 0.77 KDM4E (0.50) MEN1KMT2AALDH1A1HPGDRECQL
SCHEMBL27800028 0.77 KDM4E (0.50) MEN1KMT2AALDH1A1HPGDRECQL
SCHEMBL28751696 0.76 HRH3 (0.39) ALDH1A1ACE
SCHEMBL28751694 0.75 FFAR4 (0.39) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 US disclosed
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 US disclosed