SCHEMBL29224005

SCHEMBL29224005

CCOC(=O)Cn1c2c(c3ccccc31)CN(C(=O)O)CC2

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.64
CYP2C9 P11712 3/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 1/20 0.59
PTGDR Q13258 3/20 0.55
PTGER2 P43116 2/20 0.55
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6480665 0.92 KDM4E (0.60) PTGDR2CYP2C9KDM4ELMNAPTGDR
SCHEMBL2246361 0.89 PTGDR2 (0.66) PTGDR2CYP2C9KDM4EPTGDRPTGER2
SCHEMBL14067841 0.86 HDAC1 (0.61) PTGDR2CYP2C9KDM4ELMNAPTGDR
SCHEMBL14067778 0.86 KDM4E (0.61) PTGDR2KDM4ELMNA
SCHEMBL8104910 0.86 AKR1B10 (0.61) PTGDR2CYP2C9KDM4ELMNAPTGDR
SCHEMBL2087562 0.85 PTGDR2 (0.75) PTGDR2CYP2C9KDM4EPTGDRPTGER2
SCHEMBL19132555 0.85 PTGDR2 (0.66) PTGDR2CYP2C9PTGDRPTGER2
SCHEMBL27246675 0.84 KDM4E (0.59) PTGDR2CYP2C9KDM4ELMNAPTGDR
SCHEMBL12868112 0.84 KDM4E (0.57) PTGDR2CYP2C9KDM4ELMNAAKR1B10
SCHEMBL23148492 0.81 PTGDR2 (0.59) PTGDR2CYP2C9PTGDRPTGER2AKR1B10

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-117642397-A Modified proteins and protein binders 上海睿跃生物科技有限公司 2024-03-01 CN disclosed