SCHEMBL13765701

SCHEMBL13765701

C=C[C@@](O)(C(=O)OC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.56
SRC P12931 1/20 0.47
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL13765616 1.00 KCNN4 (0.56) KCNN4SRCNR1H2NR1H3TSHR
SCHEMBL11102584 0.84 KCNN4 (0.55) KCNN4SRCNR1H2NR1H3TSHR
SCHEMBL11102579 0.84 KCNN4 (0.55) KCNN4SRCNR1H2NR1H3TSHR
SCHEMBL11102581 0.84 KCNN4 (0.55) KCNN4SRCNR1H2NR1H3TSHR
SCHEMBL29163775 0.81 PIN1 (0.47) KCNN4TSHRALDH1A1MEN1KMT2A
SCHEMBL4560540 0.79 SRC (0.41) KCNN4SRCTSHRALDH1A1MEN1
SCHEMBL6554159 0.79 TSHR (0.46) KCNN4TSHRALDH1A1KMT2AMAPT
SCHEMBL4888619 0.79 TSHR (0.50) KCNN4TSHRALDH1A1KMT2AMAPT
SCHEMBL4015143 0.76 KCNN4 (0.53) KCNN4SRCNR1H2NR1H3TSHR
SCHEMBL10812516 0.75 KCNN4 (0.67) KCNN4SRCNR1H2NR1H3TSHR

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-7563916-B2 Process for producing an alcohol or a silyl ether thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-07-21 US disclosed