SCHEMBL11302194

SCHEMBL11302194

COC(=O)C(CC=O)C(C)OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL187910 0.81 SMN1; SMN2 (0.43) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL661763 0.81 SMN1; SMN2 (0.43) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL490446 0.81 SMN1; SMN2 (0.43) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5606099 0.80 SMN1; SMN2 (0.39) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15722793 0.75 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18339318 0.70 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL995740 0.70
SCHEMBL50447 0.70
SCHEMBL4867613 0.70
SCHEMBL30415488 0.70 SMN1; SMN2 (0.39) TSHRSMN1; SMN2MEN1KMT2A

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-4246186-A RHODIUM HYDROGENATION CATALYST UNION CARBIDE CORPORATION (US) 1981-01-20 US disclosed