SCHEMBL22992502

SCHEMBL22992502

C=C1Oc2ccccc2[C@@H]1CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.48
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
ATM Q13315 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
SCHEMBL22992504 1.00 POLB (0.52) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL27490774 0.88 POLB (0.60) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL13209700 0.81 POLB (0.50) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL13209631 0.79 POLB (0.48) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL27821199 0.78 POLB (0.59) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL11836856 0.76 CYP1A2 (0.46) POLBCYP1A2KMT2AMEN1RAB9A
SCHEMBL22992500 0.75 KMT2A (0.41) POLBKMT2AMEN1USP2L3MBTL1
SCHEMBL28859675 0.74 CYP1A2 (0.64) POLBCYP1A2KMT2AMEN1ALDH1A1
SCHEMBL22992364 0.72 CYP1A2 (0.48) POLBCYP1A2IDO1
SCHEMBL595243 0.71 ATM (0.69) POLBCYP1A2KMT2AMEN1ALDH1A1

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-2021027721-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2021-02-18 WO disclosed