SCHEMBL30173758

SCHEMBL30173758

CC(C)CCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 1/20 0.66
HPGD P15428 1/20 0.66
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 1/20 0.62
RAB9A P51151 1/20 0.62
HDAC1 Q13547 4/20 0.59
PTPN1 P18031 1/20 0.57
HDAC8 Q9BY41 3/20 0.54
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 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
SCHEMBL23782350 1.00 SMN1; SMN2 (0.66) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL4109577 0.83 PTPN1 (0.61) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL30848609 0.83 PTPN1 (0.61) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL12123751 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL27491739 0.82 KMT2A (0.51) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL30848559 0.81 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL4108418 0.81 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL12123748 0.80 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL8536512 0.79 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1
SCHEMBL12123908 0.78 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EHPGDNPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515685-B EIF4E inhibitors and uses thereof 皮克医疗公司 2025-04-08 CN disclosed
CN-115515685-A EIF4E inhibitor and application thereof 皮克医疗公司 2022-12-23 CN disclosed