SCHEMBL29955554

SCHEMBL29955554

OB(O)c1ccc(OCc2ccc(F)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
MMP13 P45452 3/20 0.51
ADAMTS4 O75173 2/20 0.51
MMP2 P08253 2/20 0.51
MMP14 P50281 2/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
NR4A2 P43354 1/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 3/20 0.42
GSK3B P49841 2/20 0.41
BACE1 P56817 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2560816 0.85 MAOB (0.61) MAOBALDH1A1ENPP2GSK3BBACE1
SCHEMBL2562346 0.85 NR4A2 (0.62) NR4A2MEN1KMT2AALDH1A1NPSR1
SCHEMBL2558815 0.85 NR4A2 (0.46) RAB9AMMP13ADAMTS4MMP2MMP14
SCHEMBL2554194 0.82 CACNA1C (0.49) MAOBALDH1A1ENPP2GSK3BBACE1
SCHEMBL5921916 0.80 RAB9A (0.56) RAB9AMMP13ADAMTS4MMP2MMP14
SCHEMBL15329717 0.79 MAOB (0.54) MAOBALDH1A1ENPP2GSK3BBACE1
SCHEMBL2556153 0.78 NR4A2 (0.60) RAB9ANR4A2MAOBMEN1KMT2A
SCHEMBL29954245 0.78 NR4A2 (0.60) RAB9ANR4A2MAOBMEN1KMT2A
SCHEMBL6236731 0.78 MAOB (0.57) RAB9AMMP13ADAMTS4MMP2MMP14
SCHEMBL17514658 0.77 RAB9A (0.53) RAB9AMMP13ADAMTS4MMP2MMP14

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