SCHEMBL8919909

SCHEMBL8919909

C#Cc1ccc(C(=O)OCCC)c(O)c1.OC1CN2CCC1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 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
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
GABRA1 P14867 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
SCHEMBL8921232 0.76 LMNA (0.43) MAPTALDH1A1RAB9AMEN1TSHR
SCHEMBL8919898 0.74 MYC (0.37) SERPINE1KDM4EMAPTALDH1A1POLB
SCHEMBL8772646 0.71 FDFT1 (0.56)
SCHEMBL4517333 0.66 CA12 (0.61) KDM4EMAPTALDH1A1MEN1TSHR
SCHEMBL6702062 0.66 SERPINE1 (0.80) SERPINE1KDM4EALDH1A1POLBTSHR
SCHEMBL27586214 0.65 KDM4E (0.63) SERPINE1KDM4EALDH1A1POLBTSHR
SCHEMBL27897792 0.65 SERPINE1 (0.57) SERPINE1KDM4EALDH1A1POLBTSHR
SCHEMBL7522651 0.65 CA12 (0.58) SERPINE1KDM4EMAPTALDH1A1POLB
SCHEMBL28563915 0.64 TSHR (0.61) KDM4EMAPTALDH1A1POLBRAB9A
SCHEMBL28581141 0.64 TSHR (0.61) KDM4EMAPTALDH1A1POLBRAB9A

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