SCHEMBL31673005

SCHEMBL31673005

CCCCOc1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HPGD P15428 2/20 0.65
ABCB11 O95342 1/20 0.65
CYP1A2 P05177 1/20 0.65
GAA P10253 1/20 0.65
CYP2D6 P10635 1/20 0.65
SCN1A P35498 1/20 0.65
OPRK1 P41145 1/20 0.65
KCNH2 Q12809 1/20 0.65
CACNA1C Q13936 1/20 0.65
SCN5A Q14524 1/20 0.65
GHSR Q92847 1/20 0.65
SCN2A Q99250 1/20 0.65
SCN3A Q9NY46 1/20 0.65
ALOX15 P16050 1/20 0.64
HTT P42858 1/20 0.64
DHODH Q02127 2/20 0.63

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
SCHEMBL6250517 1.00 KDM4E (0.65) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9198147 0.96 HTR3E (0.61) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL29176330 0.95 HTR3E (0.61) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9198080 0.95 HTR3E (0.61) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7939470 0.93 PDE10A (0.65) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL28378761 0.89 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9200082 0.88 HTR3E (0.62) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL13490841 0.88 KDM4E (0.55) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL9203821 0.87 KDM4E (0.64) KDM4EALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL29176351 0.83 HTR3E (0.64) KDM4EALDH1A1LMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250259704-A1 SYSTEMS AND METHODS FOR CELL-FREE ITERATIVE SITE SATURATION MUTAGENESIS AND ITS APPLICATION FOR THE DIRECTED EVOLUTION OF ENZYMES CATALYZING UNNATURAL REACTIONS U.S. DEPARTMENT OF ENERGY 2025-08-14 US disclosed