SCHEMBL31406503

SCHEMBL31406503

COc1ccc(COCCOc2ccccc2C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
KMT2A Q03164 1/20 0.64
PTK2B Q14289 1/20 0.64
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
HCAR2 Q8TDS4 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CYP2C9 P11712 1/20 0.47
RXRA P19793 1/20 0.47
HTT P42858 3/20 0.46
RECQL P46063 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
SCHEMBL1388037 0.88 RXRA (0.60) ALDH1A1USP2TP53SMN1; SMN2KDM4E
SCHEMBL2451600 0.86 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BUSP2TP53
SCHEMBL6518553 0.85 RAB9A (0.50) ALDH1A1KMT2APTK2BTP53SMN1; SMN2
SCHEMBL2448991 0.85 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BUSP2TP53
SCHEMBL16517703 0.83 NPC1 (0.48) ALDH1A1USP2TP53SMN1; SMN2LMNA
SCHEMBL29032384 0.81 PARP15 (0.48) ALDH1A1KMT2APTK2BSMN1; SMN2KDM4E
Water SCHEMBL8980729 0.81 RXRA (0.52) USP2TP53SMN1; SMN2KDM4EPOLB
SCHEMBL8668088 0.80 ALDH1A1 (0.66) ALDH1A1KMT2APTK2BSMN1; SMN2LMNA
SCHEMBL293291 0.80 L3MBTL1 (0.57) ALDH1A1USP2TP53SMN1; SMN2POLB
SCHEMBL24801375 0.80 ALDH1A1 (1.00) ALDH1A1KMT2APTK2BUSP2SMN1; SMN2

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
CN-119233964-A Single component delivery system for nucleic acids 宾夕法尼亚大学理事会 2024-12-31 CN disclosed