SCHEMBL8919898

SCHEMBL8919898

CCCOC(=O)c1ccc(C#CC2C(O)C3CCN2CC3)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.37
SERPINE1 P05121 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 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
SCHEMBL8919982 0.76 MMP13 (0.46) ALDH1A1POLBRAB9ACA12CA1
SCHEMBL8919909 0.74 SERPINE1 (0.36) MYCSERPINE1MAPTKDM4EALDH1A1
SCHEMBL8772646 0.71 FDFT1 (0.56)
SCHEMBL8417915 0.69 ACACB (0.37) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8421763 0.67 EGFR (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6702062 0.66 SERPINE1 (0.80) SERPINE1KDM4EALDH1A1POLBTSHR
SCHEMBL27897792 0.65 SERPINE1 (0.57) MYCSERPINE1KDM4EALDH1A1POLB
SCHEMBL27586214 0.65 KDM4E (0.63) SERPINE1KDM4EALDH1A1POLBTSHR
SCHEMBL7522651 0.65 CA12 (0.58) MYCSERPINE1MAPTKDM4EALDH1A1
SCHEMBL8919905 0.64 FDFT1 (0.41) ALDH1A1POLBRAB9ACA12CA1

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed