SCHEMBL25530941

SCHEMBL25530941

COCc1ccc(C=C(C(=O)O)C(=O)O)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 3/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.36
GLO1 Q04760 1/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3200725 0.80 ALDH1A1 (0.58) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL25224562 0.78 KMT2A (0.40) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL721921 0.75 ALDH1A1 (0.57) POLBMAPTALDH1A1TDP1L3MBTL1
SCHEMBL25234579 0.75 EPHX2 (0.55) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL29398865 0.74 ALDH1A1 (0.55) POLBMAPTALDH1A1TDP1L3MBTL1
SCHEMBL11926985 0.72 ALDH1A1 (0.73) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL8241590 0.72 ALDH1A1 (0.34) POLBMAPTALDH1A1TSHRNPC1
SCHEMBL21950480 0.72 KMT2A (0.48) KMT2APOLBMAPTALDH1A1TDP1
SCHEMBL28449617 0.71 ALDH1A1 (0.51) POLBMAPTALDH1A1TDP1TSHR
SCHEMBL3191767 0.70 NPC1 (0.61) KMT2APOLBMAPTALDH1A1TDP1

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
WO-2023091017-A1 MALONATE AND FURAN BASED SURFACTANTS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-25 WO disclosed