SCHEMBL9122575

SCHEMBL9122575

CC(C)CC(=O)c1ccc(OCC(O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.55
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL9222642 0.90 PTGES (0.47) PTGESKDM4ELMNAMAPTHPGD
SCHEMBL9123290 0.82 SMN1; SMN2 (0.53) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL9123641 0.80 LMNA (0.48) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL9124626 0.76 RAB9A (0.63) KDM4ELMNAMAPTHPGDSMN1; SMN2
SCHEMBL9212087 0.76 KDM4E (0.63) PTGESKDM4ELMNAMAPTHPGD
SCHEMBL9124575 0.75 MAPT (0.42) KDM4ELMNAMAPTSMN1; SMN2KMT2A
SCHEMBL9238191 0.74 MEN1 (0.57) LMNAKMT2AMEN1TDP1
SCHEMBL9663630 0.73 KDM4E (0.65) PTGESKDM4ELMNAMAPTHPGD
SCHEMBL9125191 0.73 MAPT (0.47) LMNAMAPTKMT2A
SCHEMBL9665899 0.72 KDM4E (0.53) PTGESKDM4ELMNAMAPTHPGD

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-5470858-A Anticholesterol agents PIERREL SPA (IT) 1995-11-28 US disclosed