SCHEMBL30807828

SCHEMBL30807828

CCOC(=O)c1cccc(NCC(=O)OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
MAPT P10636 6/20 0.59
PKM P14618 2/20 0.54
PPIA P62937 1/20 0.53
NPC1 O15118 6/20 0.53
POLB P06746 2/20 0.52
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.51
CDC25B P30305 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 1/20 0.50
SENP1 Q9P0U3 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 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
SCHEMBL24077783 1.00 RAB9A (0.60) RAB9AMAPTPKMPPIANPC1
SCHEMBL7336552 0.86 PKM (0.67) RAB9AMAPTPKMNPC1KMT2A
SCHEMBL7134779 0.85 MAPT (0.65) RAB9AMAPTPKMPPIANPC1
SCHEMBL10106419 0.83 MAPT (0.65) RAB9AMAPTPKMNPC1POLB
SCHEMBL14435084 0.83 KMT2A (0.59) RAB9AMAPTPKMNPC1POLB
SCHEMBL30353836 0.83 KMT2A (0.59) RAB9AMAPTPKMNPC1POLB
SCHEMBL7140628 0.82 RAB9A (0.52) RAB9AMAPTPKMPPIANPC1
SCHEMBL11365574 0.81 KMT2A (0.52) RAB9AMAPTPKMNPC1POLB
SCHEMBL11456258 0.81 L3MBTL1 (0.56) RAB9AMAPTPKMPOLBKMT2A
SCHEMBL11323179 0.80 AKR1C3 (0.61) RAB9ANPC1POLBKMT2AALDH1A1

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-117580831-A GRK2 inhibitors and uses thereof 索纳塔治疗公司 2024-02-20 CN disclosed