SCHEMBL9150751

SCHEMBL9150751

CCCCCCCCCCCCN1C(=O)CCC1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PTGER4 P35408 8/20 0.45
PTGER3 P43115 6/20 0.45
PTGER2 P43116 5/20 0.45
ADRA1A P35348 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
GBA1 P04062 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13331904 0.99 ALDH1A1 (0.48) ALDH1A1PTGER4PTGER3PTGER2ADRA1A
SCHEMBL9654682 0.90 ALDH1A1 (0.42) ALDH1A1PTGER4PTGER3PTGER2ADRA1A
SCHEMBL3767009 0.84 PTGER4 (0.46) ALDH1A1PTGER4PTGER3PTGER2ADRA1A
SCHEMBL242586 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8761610 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8754825 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8761679 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8761736 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL3425106 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8749215 0.82 MEN1 (0.51) ALDH1A1PTGER4PTGER3PTGER2KMT2A

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-5472946-A Topical administration of lincomycin, clindamycin, erthromycin and iododeoxyuridine on skin or mucuous membranes DISCOVERY THERAPEUTICS, INC. 1995-12-05 US disclosed