SCHEMBL28634345

SCHEMBL28634345

CCC=C(C#N)C(=O)OCCOCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
DNM1 Q05193 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTP4A1 Q93096 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MIF P14174 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
PDCD1 Q15116 1/20 0.36

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
SCHEMBL22502664 0.86 TP53 (0.40) THRBCYP2C9ALDH1A1TSHRDNM1
SCHEMBL22502563 0.84 ZDHHC20 (0.39) THRBCYP2C9TSHRDNM1MAPT
SCHEMBL24755221 0.84 CYP2C9 (0.46) CYP2C9ALDH1A1TSHRDNM1MAPT
SCHEMBL167038 0.84 CYP2C9 (0.62) THRBCYP2C9ALDH1A1TSHRMAPT
SCHEMBL11269373 0.84 CYP2C9 (0.62) THRBCYP2C9ALDH1A1TSHRMAPT
SCHEMBL5555817 0.84 CYP2C9 (0.37) THRBCYP2C9ALDH1A1TSHRMAPT
SCHEMBL22502697 0.83 ZDHHC20 (0.41) THRBCYP2C9TSHRDNM1MAPT
SCHEMBL7737783 0.81 TP53 (0.46) CYP2C9ALDH1A1TSHRDNM1MAPT
SCHEMBL7737784 0.81 TP53 (0.46) CYP2C9ALDH1A1TSHRDNM1MAPT
SCHEMBL6665379 0.81 CYP2C9 (0.41) CYP2C9ALDH1A1TSHRDNM1MAPT

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-113227183-A (meth) acrylic compositions comprising modified polyurethanes 博斯蒂克股份公司 2021-08-06 CN claimed