SCHEMBL29953540

SCHEMBL29953540

COc1cc(C=O)c(Br)cc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.68
MAPT P10636 3/20 0.62
LMNA P02545 3/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGDR2 Q9Y5Y4 2/20 0.55
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.47
PRNP P04156 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LCK P06239 1/20 0.45

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
SCHEMBL29955281 0.88 LMNA (0.77) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL20563979 0.88 PTGDR2 (0.58) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL2556532 0.87 ALDH1A1 (0.71) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL11328128 0.82 PTGDR2 (0.58) PRKDCMAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29951681 0.82 ALDH1A1 (0.77) PRKDCMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL515642 0.82 PRKDC (1.00) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL24498697 0.81 PTGDR2 (0.65) PRKDCMAPTLMNAALDH1A1L3MBTL1
SCHEMBL14835649 0.81 LMNA (0.87) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL1620382 0.81 LMNA (0.87) PRKDCMAPTLMNAALDH1A1HPGD
SCHEMBL29976495 0.80 PRKDC (0.74) PRKDCMAPTLMNAALDH1A1HPGD

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed