SCHEMBL24073353

SCHEMBL24073353

C=C[C@@H](Cc1nc2cc(C(=O)OCc3ccccc3)ccc2o1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.46
▸ NPC1 O15118 8/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SLC27A1 Q6PCB7 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL24073357 0.83 RAB9A (0.43) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL24073356 0.78 RAB9A (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL24072625 0.78 HDAC6 (0.50) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL27334977 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL28969074 0.74 SLC17A5 (0.45) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL30306867 0.74 SLC17A5 (0.45) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL28969076 0.74 SLC17A5 (0.45) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL30306805 0.73 HDAC1 (0.40) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL25023561 0.71 MEN1 (0.49) RAB9ANPC1ALDH1A1KMT2A
SCHEMBL3118574 0.69 MAPT (0.61) RAB9ANPC1LMNAMAPT

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-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 — — WO disclosed
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