SCHEMBL29489189

SCHEMBL29489189

CC(C)COC1C=Cc2ccccc2N1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
P2RX4 Q99571 8/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX1 P51575 3/20 0.41
P2RX3 P56373 3/20 0.41
P2RX7 Q99572 2/20 0.41
PTBP1 P26599 1/20 0.37
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL20358130 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL29427926 0.87 SMN1; SMN2 (0.69) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL17633849 0.87 SMN1; SMN2 (0.69) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL8765342 0.87 SMN1; SMN2 (0.55) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL214110 0.87 SMN1; SMN2 (0.69) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL20840679 0.87 SMN1; SMN2 (0.69) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL7284649 0.86 SMN1; SMN2 (0.79) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL4612051 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL30563642 0.85 SMN1; SMN2 (0.78) SMN1; SMN2LMNAP2RX4MEN1KMT2A
SCHEMBL4742545 0.85 SMN1; SMN2 (0.78) SMN1; SMN2LMNAP2RX4MEN1KMT2A

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
EP-3972652-A1 ANTIBODY-DRUG CONJUGATES AND THEIR USE IN THERAPY Mc SAF (FR) 2022-03-30 EP disclosed