SCHEMBL30908533

SCHEMBL30908533

CC[C@@](C)(O)CCCCCCCCC[C@H](C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
LMNA P02545 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL30987408 0.85 MEN1 (0.34) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL31073668 0.83 ACE2 (0.39) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL29116354 0.83 TSHR (0.41) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL31036132 0.81 ACE2 (0.42) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL31016287 0.81 ACE2 (0.42) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL11802898 0.80 PTPN2 (0.41) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL17644632 0.79 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL12999684 0.79 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL14047326 0.79 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL13057738 0.79 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2APTPN2

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-114805462-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-06-18 CN disclosed
CN-114656514-B Steroid derivative regulator and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed