SCHEMBL14229576

SCHEMBL14229576

C=C1CCCCCCCCCC(CN(C)C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.40
HSP90AA1 P07900 2/20 0.38
MITF O75030 1/20 0.38
METAP1 P53582 5/20 0.35
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4631229 0.78 KMT2A (0.47) CCR6KMT2ASMN1; SMN2
SCHEMBL14228794 0.78 KMT2A (0.47) CCR6KMT2ASMN1; SMN2
SCHEMBL4631860 0.78 KMT2A (0.47) CCR6KMT2ASMN1; SMN2
SCHEMBL24377697 0.77 CA1 (0.36) KMT2A
SCHEMBL14228751 0.77 CA1 (0.33) KMT2A
SCHEMBL15286031 0.77 CA1 (0.36) KMT2A
SCHEMBL13943016 0.76 ADRA2A (0.35) CCR6
SCHEMBL6865388 0.76 CA1 (0.45) CCR6KMT2ASMN1; SMN2
SCHEMBL3146259 0.76 CA1 (0.45) CCR6KMT2ASMN1; SMN2
SCHEMBL12721211 0.75 METAP1 (0.38) CCR6HSP90AA1MITFMETAP1

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-7365096-B2 Methods for selectively inhibiting Janus tyrosine kinase 3 (Jak3) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-29 US disclosed