SCHEMBL30779595

SCHEMBL30779595

CC(C)c1cc(NC(=O)c2ccc(F)cc2)c(O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
KCNMA1 Q12791 2/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SNCA P37840 1/20 0.48
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL21644649 1.00 LMNA (0.60) LMNAKCNMA1MEN1KMT2APOLB
SCHEMBL30779586 0.85 POLB (0.59) LMNAMEN1KMT2APOLBHDAC1
SCHEMBL21644686 0.85 POLB (0.59) LMNAMEN1KMT2APOLBHDAC1
SCHEMBL21644546 0.74 P2RX1 (0.56) LMNAMEN1KMT2APOLBHDAC1
SCHEMBL21644559 0.73 GAA (0.64) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL2605547 0.72 KCNMA1 (0.64) LMNAKCNMA1MEN1KMT2APOLB
SCHEMBL20509055 0.70 HSP90AA1 (0.43) HDAC1CYP1A2CYP2D6CYP2C19
SCHEMBL16335223 0.70 MEN1 (0.79) LMNAKCNMA1MEN1KMT2APOLB
SCHEMBL21644533 0.69 SMN1; SMN2 (0.53) LMNAKCNMA1MEN1KMT2APOLB
SCHEMBL30779608 0.69 SMN1; SMN2 (0.53) LMNAKCNMA1MEN1KMT2APOLB

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-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed