SCHEMBL7675154

SCHEMBL7675154

COC(OC(=O)c1ccc(OCCOC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 8/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.42
CTSK P43235 3/20 0.42
CTSB P07858 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3732038 0.85 ATM (0.51) MAPTRAB9AATML3MBTL1CYP3A4
SCHEMBL3740424 0.84 NR4A1 (0.51) MAPTL3MBTL1CTSKCTSBCTSL
SCHEMBL7860528 0.84 MAPT (0.47) MAPTRAB9AL3MBTL1CYP3A4CTSK
SCHEMBL3727297 0.74 CA2 (0.53) ATMCTSKCTSBCTSLCTSS
SCHEMBL3735287 0.74 CA2 (0.49) RAB9ACYP3A4CTSKCTSBCTSL
SCHEMBL5898423 0.74 CTSK (0.57) CTSKCTSBCTSLCTSS
SCHEMBL30016306 0.73 CTSL (0.55) RAB9AL3MBTL1CYP3A4ALDH1A1TSHR
SCHEMBL3736355 0.73 CTSB (0.57) RAB9AATMCYP3A4CTSKCTSB
SCHEMBL3740465 0.73 ATM (0.55) ATMCYP3A4ALDH1A1TSHRCTSK
SCHEMBL28892051 0.73 TRPM8 (0.62) ATMALDH1A1CTSKCTSBCTSL

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-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed