SCHEMBL24522981

SCHEMBL24522981

C=C(C)C(=O)OCCCCCCOc1cc(=O)n(C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.65
SMN1; SMN2 Q16637 9/20 0.56
LMNA P02545 6/20 0.56
HPGD P15428 5/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 5/20 0.56
TP53 P04637 1/20 0.56
BRD4 O60885 5/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
WEE1 P30291 1/20 0.53
MAPK10 P53779 1/20 0.53
HBB P68871 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL24522699 1.00 KCNA3 (0.65) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24522892 0.88 KCNA3 (0.70) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24523067 0.85 KCNA3 (0.69) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24522709 0.83 KCNA3 (0.66) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24522815 0.83 KCNA3 (0.66) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24522643 0.83 KDM4E (0.48) SMN1; SMN2LMNAHPGDTP53ALDH1A1
SCHEMBL24522887 0.82 KCNA3 (0.42) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL24523010 0.82 KCNA3 (0.76) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL13609766 0.81 KCNA3 (0.52) KCNA3SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL25493370 0.80 KCNA3 (0.78) KCNA3SMN1; SMN2LMNAHPGDRAB9A

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
WO-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 EP disclosed