SCHEMBL31338897

SCHEMBL31338897

C=C(C)c1ccc(OC)cc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
RAD52 P43351 1/20 0.41
GAA P10253 2/20 0.39
CYP1A2 P05177 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
LMNA P02545 2/20 0.38
PGR P06401 2/20 0.38
SLC6A2 P23975 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL154696 0.81 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL31490448 0.80 NPC1 (0.40) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL4063661 0.78 MAPT (0.65) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL16078417 0.78 HTT (0.51) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL28419647 0.78 HPGD (0.47) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL23268318 0.77 JAK2 (0.48) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL30820833 0.77 CPS1 (0.54) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL531476 0.77 CPS1 (0.54) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL3404282 0.77 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP3A4MAPK1MAPT
SCHEMBL6931977 0.76 NPC1 (0.50) ALDH1A1HPGDCYP3A4MAPK1MAPT

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-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN claimed
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN disclosed