SCHEMBL28476992

SCHEMBL28476992

COC(=O)Nc1ccc(CC(O)C(=O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PTPRB P23467 1/20 0.46
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8741875 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL3901283 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL8366738 0.87 SMN1; SMN2 (0.51) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL7217491 0.84 POLB (0.57) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL8366740 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL22402969 0.84 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL21552129 0.84 SMN1; SMN2 (0.59) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL10161781 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTRAB9ANPC1HPGD
SCHEMBL15689792 0.80 ESR1 (0.65) RAB9ANPC1ESR1ESR2KMT2A
SCHEMBL3910015 0.80 ESR1 (0.65) RAB9ANPC1ESR1ESR2KMT2A

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-111741956-A Antiparasitic depsipeptides 硕腾服务有限责任公司 2020-10-02 CN disclosed