SCHEMBL25203296

SCHEMBL25203296

COC(=O)C(c1cc(OCCCCCCCCCCCBr)no1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.45
LTB4R Q15722 1/20 0.32
PPARG P37231 3/20 0.31
PPARA Q07869 1/20 0.31
VHL P40337 1/20 0.31
THRB P10828 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
ACACB O00763 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
SCHEMBL25194983 1.00 SMPD1 (0.45) SMPD1LTB4RPPARGPPARAVHL
SCHEMBL25207691 1.00 SMPD1 (0.45) SMPD1LTB4RPPARGPPARAVHL
SCHEMBL25211458 1.00 SMPD1 (0.45) SMPD1LTB4RPPARGPPARAVHL
SCHEMBL25199391 1.00 SMPD1 (0.45) SMPD1LTB4RPPARGPPARAVHL
SCHEMBL25202439 0.95 SMPD1 (0.41) SMPD1VHLTHRBHRH3ALDH1A1
SCHEMBL25594024 0.91 SMPD1 (0.40) SMPD1VHLTHRBALDH1A1POLB
SCHEMBL21458950 0.91 SMPD1 (0.41) SMPD1VHL
SCHEMBL25212361 0.90 SMPD1 (0.40) SMPD1LTB4R
SCHEMBL25594025 0.88 SMPD1 (0.56) SMPD1PPARGPPARAALDH1A1
SCHEMBL21405008 0.86 SMPD1 (0.42) SMPD1VHLTHRBHRH3ALDH1A1

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
WO-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 WO disclosed
WO-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 WO disclosed