SCHEMBL25534680

SCHEMBL25534680

CCOC(=O)C(C)c1ccc([C@@H](C)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS2 P35354 1/20 0.40
EPHX1 P07099 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP8 P22894 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTT P42858 1/20 0.39
PIN1 Q13526 1/20 0.39

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
SCHEMBL1625348 0.85 LMNA (0.55) TSHRMEN1KMT2ATDP1LMNA
SCHEMBL3279844 0.85 KMT2A (0.47) TSHRMEN1KMT2ATDP1PTGS2
SCHEMBL19347482 0.84 PTGS2 (0.38) TSHRMEN1KMT2ATDP1PTGS2
Hydrochloric Acid SCHEMBL11037833 0.84 LMNA (0.53) TSHRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1792502 0.83 ESR1 (0.53) TSHRKMT2ATDP1LMNASMN1; SMN2
SCHEMBL9235662 0.83 ESR1 (0.53) TSHRKMT2ATDP1LMNASMN1; SMN2
SCHEMBL9232941 0.83 ESR1 (0.53) TSHRKMT2ATDP1LMNASMN1; SMN2
SCHEMBL28929197 0.83 PTGS1 (0.43) TSHRPTGS2LMNASMN1; SMN2MMP8
SCHEMBL13884372 0.82 EPHX1 (0.45) TSHRPTGS2EPHX1LMNA
SCHEMBL12982066 0.82 PTGS2 (0.40) TSHRMEN1KMT2ATDP1PTGS2

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
EP-3426244-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-06-07 EP disclosed