SCHEMBL30829124

SCHEMBL30829124

CC(C)CCCC(C)CCCCC(C)CCCC(C)C(CC1CCCC1)CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
BLM P54132 1/20 0.34
PTPN1 P18031 1/20 0.34
CPB2 Q96IY4 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL30829123 0.98 LMNA (0.47) LMNAFNTAPGGT1BBLMPTPN1
SCHEMBL30829133 0.97 LMNA (0.48) LMNAFNTAPGGT1BBLMPTPN1
SCHEMBL30829131 0.93 LMNA (0.52) LMNAFNTAPGGT1BBLMPTPN1
SCHEMBL9539707 0.83 LMNA (0.46) LMNAFNTAPGGT1BBLMPTPN1
SCHEMBL4652979 0.73 CTSD (0.35) CPB2CYP3A4REN
SCHEMBL4655235 0.72 CYP1A2 (0.35) LMNACPB2KMT2AREN
SCHEMBL2059106 0.71 CTSD (0.37) CPB2REN
SCHEMBL24191881 0.71 PTPN1 (0.41) LMNAFNTAPGGT1BBLMPTPN1
SCHEMBL19038153 0.71 CYP1A2 (0.48) CPB2KMT2AREN
SCHEMBL4655208 0.71 CYP1A2 (0.39) CPB2KMT2AREN

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-117776923-A Crocetin diester compound and application thereof in liver cancer cell resistance 常州大学 2024-03-29 CN claimed
CN-117776923-A Crocetin diester compound and application thereof in liver cancer cell resistance 常州大学 2024-03-29 CN disclosed