SCHEMBL28664838

SCHEMBL28664838

CCCOC(=O)C=C(C#N)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL21457423 0.91 SMN1; SMN2 (0.46) ELANESMN1; SMN2HPGDTDP1LMNA
SCHEMBL28656274 0.85 LMNA (0.53) ELANESMN1; SMN2HPGDTDP1LMNA
SCHEMBL21457259 0.84 ADRB2 (0.42) SMN1; SMN2HPGDTDP1LMNAKMT2A
SCHEMBL21457347 0.82 HDAC8 (0.45) SMN1; SMN2HPGDLMNAKMT2APARP1
SCHEMBL21457294 0.81 PDCD1 (0.52) ELANESMN1; SMN2CYP1A2MAPT
SCHEMBL21457689 0.79 MAPT (0.46) ELANESMN1; SMN2TDP1LMNAKMT2A
SCHEMBL21457366 0.79 PARP1 (0.41) ELANESMN1; SMN2HPGDLMNAKMT2A
SCHEMBL21457251 0.79 RAB9A (0.45) SMN1; SMN2KMT2APARP1ALDH1A1KDM4E
SCHEMBL21457376 0.79 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMAPT
SCHEMBL28824973 0.79 ESR1 (0.54) SMN1; SMN2TDP1LMNAALDH1A1KDM4E

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-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed