SCHEMBL28072033

SCHEMBL28072033

CC[C@@H](C)C(O)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10420796 0.84 TSHR (0.33) CHRM4CHRM5CHRM1CHRM3TSHR
SCHEMBL7779225 0.80 DPP4 (0.43) TSHRLMNA
SCHEMBL21105595 0.80 DPP4 (0.43) TSHRLMNA
SCHEMBL7779224 0.80 DPP4 (0.43) TSHRLMNA
SCHEMBL1336756 0.80 TSHR (0.50) TSHRLMNAHCAR2CA12CA1
SCHEMBL1338978 0.80 TSHR (0.50) TSHRLMNAHCAR2CA12CA1
SCHEMBL8636434 0.80 TSHR (0.50) TSHRLMNAHCAR2CA12CA1
SCHEMBL571478 0.80 TSHR (0.50) TSHRLMNAHCAR2CA12CA1
SCHEMBL6680468 0.79 CHRM4 (0.44) CHRM4CHRM5CHRM1CHRM3LMNA
SCHEMBL9458330 0.79 CA1 (0.42) CHRM4CHRM5CHRM1CHRM3TSHR

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
CN-105793266-A Spiro-oxazolones 豪夫迈·罗氏有限公司 2016-07-20 CN disclosed