SCHEMBL29048441

SCHEMBL29048441

O=C1CCCCC(O)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA9 Q16790 1/20 0.44
CYP2D6 P10635 2/20 0.42
TSHR P16473 3/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 2/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ESR2 Q92731 2/20 0.31
NR1I2 O75469 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 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
SCHEMBL21694110 0.93
SCHEMBL29654851 0.86 CA1 (0.48) CA1CA9CYP2D6TSHRLMNA
SCHEMBL3873436 0.84
Cyclohexanol SCHEMBL28938217 0.79 CA1 (0.64) CA1CA9CYP2D6TSHRLMNA
SCHEMBL8423474 0.79 CA1 (0.58) CA1CA9CYP2D6TSHRLMNA
Cyclohexanol SCHEMBL28203866 0.79 CA1 (0.64) CA1CA9CYP2D6TSHRLMNA
SCHEMBL9418314 0.77 CA1 (0.48) CA1CA9CYP2D6TSHRLMNA
SCHEMBL29048442 0.77 CA1 (0.60) CA1CA9CYP2D6TSHRLMNA
SCHEMBL16639619 0.76 CA1 (0.39) CA1CA9CYP2D6TSHRLMNA
SCHEMBL28580171 0.75 CA1 (0.58) CA1CA9CYP2D6TSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574473-A Photovoltaic back adhesive and preparation method thereof 广州富思德化工科技有限公司 2023-08-11 CN claimed
CN-116574473-A Photovoltaic back adhesive and preparation method thereof 广州富思德化工科技有限公司 2023-08-11 CN disclosed