SCHEMBL10535003

SCHEMBL10535003

CCCCCCCCCCCCN1C(=O)CCC1C(=O)O.CCCCCCCCN1C(=O)CCC1C(=O)O.CCCCCCN1C(=O)CCC1C(=O)O.CCCCCN1C(=O)CCC1C(=O)O.CCCCN1C(=O)CCC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
PTGER4 P35408 12/20 0.50
PTGER3 P43115 8/20 0.50
PTGER2 P43116 8/20 0.50
ALDH1A1 P00352 1/20 0.48
GBA1 P04062 1/20 0.43
ACE P12821 2/20 0.40
USP2 O75604 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8748944 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8761679 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL3425106 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8749215 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8748862 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8761610 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8754825 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8761736 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL242586 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3
SCHEMBL8748934 0.98 MEN1 (0.51) MEN1KMT2APOLBPTGER4PTGER3

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
WO-1989011275-A1 PENETRATION ENHANCERS FOR TRANSDERMAL DELIVERY OF SYSTEMIC AGENTS NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-11-30 WO disclosed