SCHEMBL1897934

SCHEMBL1897934

COC(=O)c1ccc(C(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA7 P43166 1/20 0.48
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
NOTUM Q6P988 1/20 0.44
OPRD1 P41143 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL9855895 0.79 NPSR1 (0.51) TSHRCA1CA2TDP1MAPT
SCHEMBL15441153 0.78 TSHR (0.57) TSHRCA1CA2CA12CA9
SCHEMBL6950525 0.77 TSHR (0.55) TSHRCA1CA2CA12CA9
SCHEMBL11187331 0.77 TSHR (0.55) TSHRCA1CA2CA12CA9
SCHEMBL11187333 0.77 TSHR (0.55) TSHRCA1CA2CA12CA9
SCHEMBL1185858 0.76 SMN1; SMN2 (0.49) MAPTL3MBTL1RAB9AALDH1A1GAA
SCHEMBL16682784 0.76 SRC (0.46) TSHRCA1CA2CA12CA9
SCHEMBL517908 0.76 ATM (0.44) L3MBTL1ALDH1A1ATM
SCHEMBL4630315 0.76 SRC (0.46) TSHRCA1CA2CA12CA9
SCHEMBL66018 0.75 L3MBTL1 (0.61) TDP1L3MBTL1ATM

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-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed