SCHEMBL4806958

SCHEMBL4806958

CCC(=O)C(=O)c1ccc(COC2CCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CREBBP Q92793 2/20 0.46
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
EP300 Q09472 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4325200 0.86 KMT2A (0.52) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL13909331 0.85 CREBBP (0.46) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL3811958 0.83 KMT2A (0.64) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL3809200 0.82 KMT2A (0.48) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL2830732 0.82 ICAM1 (0.53) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL393604 0.80 MEN1 (0.44) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL12141797 0.80 ICAM1 (0.42) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL32681294 0.80 HDAC1 (0.49) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL25231400 0.79 MEN1 (0.44) MEN1KMT2ACREBBPICAM1SELE
SCHEMBL10007917 0.79 ICAM1 (0.45) MEN1KMT2ACREBBPICAM1SELE

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-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed