SCHEMBL30455896

SCHEMBL30455896

[2H]c1cc(C(=O)OC)ccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.54
CYP4A11 Q02928 2/20 0.50
CYP4F2 P78329 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL211335 0.88 LOXL2 (0.63) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL7174070 0.83 TSHR (0.58) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL22664443 0.78 LOXL2 (0.51) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL11459316 0.75 PTGS1 (0.64) LOXL2CYP4A11TSHRPOLBMAPT
SCHEMBL20259350 0.74 LOXL2 (0.66) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL131711 0.74 LOXL2 (0.70) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL70185 0.74 CYP4A11 (0.75) LOXL2CYP4A11CYP4F2TSHRNPC1
SCHEMBL69454 0.74 LOXL2 (0.70) LOXL2CYP4A11CYP4F2TSHRNPC1
SCHEMBL1811746 0.74 LOXL2 (0.59) LOXL2CYP4A11CYP4F2TSHRRAB9A
SCHEMBL661620 0.74 CYP4A11 (0.64) LOXL2CYP4A11CYP4F2TSHRPOLB

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-116438179-A Pyrazole derivatives as RET kinase inhibitors 伊莱利利公司 2023-07-14 CN disclosed