SCHEMBL24522643

SCHEMBL24522643

C=C(C)C(=O)OCCCCCCSc1cc(=O)n(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.43

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
SCHEMBL24522819 0.86 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522764 0.86 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522776 0.86 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522790 0.85 KDM4E (0.50) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522699 0.83 KCNA3 (0.65) HPGDALDH1A1TSHRTP53LMNA
SCHEMBL24522981 0.83 KCNA3 (0.65) HPGDALDH1A1TSHRTP53LMNA
SCHEMBL24522722 0.80 HPGD (0.55) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522887 0.78 KCNA3 (0.42) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL24522777 0.78 ALDH1A1 (0.50) HPGDALDH1A1TSHRTP53LMNA
SCHEMBL24531722 0.78 ALDH1A1 (0.50) HPGDALDH1A1TSHRTP53LMNA

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