SCHEMBL9768098

SCHEMBL9768098

CC(C)(C)NCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 7/20 0.51
ALPL P05186 6/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
XDH P47989 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLAA Q9Y263 3/20 0.45

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
SCHEMBL31419971 1.00 ALPG (0.51) ALPGALPLCA12CA1CA2
Hydrochloric Acid SCHEMBL10897263 0.98 ALPG (0.50) ALPGALPLCA12CA1CA2
Hydrochloric Acid SCHEMBL31419992 0.98 ALPG (0.50) ALPGALPLCA12CA1CA2
SCHEMBL4398841 0.85 ALPG (0.48) ALPGALPLCA12CA1CA2
SCHEMBL11271644 0.85 LCK (0.49) ALPGALPLCA12CA1CA2
Hydrochloric Acid SCHEMBL11282775 0.84 LCK (0.47) ALPGALPLCA12CA1CA2
SCHEMBL26048694 0.84 CSNK2A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6698305 0.84 PKM (0.57) ALPGALPLPOLB
SCHEMBL29351187 0.84 PKM (0.57) ALPGALPLPOLB
Hydrochloric Acid SCHEMBL11289732 0.83 PKM (0.55) ALPGALPLPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614830-A Esterification process STERLING DRUG INC. (US) 1986-09-30 US claimed
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed
US-4614830-A Esterification process STERLING DRUG INC. (US) 1986-09-30 US disclosed