SCHEMBL28293608

SCHEMBL28293608

C=C(C)C(=O)OC(C)CCP(=O)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL980294 0.83 TSHR (0.40) TSHRALDH1A1
SCHEMBL2540758 0.80 TSHR (0.50) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL3411386 0.79 TSHR (0.42) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL17350353 0.76 TSHR (0.35) TSHRALDH1A1
SCHEMBL2638252 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL8699662 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL27625944 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL1132562 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL16983022 0.75 TSHR (0.39) TSHRALDH1A1
SCHEMBL23494300 0.74 TSHR (0.50) TSHRALDH1A1CHRM2CHRM4CHRM1

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-109790350-A Copolymer compositions with phosphonate group 株式会社可乐丽 2019-05-21 CN disclosed