SCHEMBL29224596

SCHEMBL29224596

COc1cc(CNC(=O)[C@@H](C)c2ccccc2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.74
ERCC4 Q92889 1/20 0.74
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
TRPV1 Q8NER1 1/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL29224597 1.00 ERCC1 (0.74) ERCC1ERCC4CYP3A4TSHRTRPV1
SCHEMBL29224595 1.00 ERCC1 (0.74) ERCC1ERCC4CYP3A4TSHRTRPV1
SCHEMBL6093048 0.90 ERCC1 (0.66) ERCC1ERCC4CYP3A4TSHRKDM4E
SCHEMBL4947604 0.83 CYP3A4 (0.60) ERCC1ERCC4CYP3A4TSHRTRPV1
SCHEMBL17667848 0.83 CYP3A4 (0.60) ERCC1ERCC4CYP3A4TSHRTRPV1
SCHEMBL5197621 0.82 CYP1A2 (0.59) ERCC1ERCC4CYP3A4TSHRTRPV1
SCHEMBL2846746 0.80 TRPV1 (0.69) CYP3A4TSHRTRPV1GAAALOX15
SCHEMBL297477 0.80 ALDH1A1 (0.64) CYP3A4TSHRTRPV1GAAALOX15
SCHEMBL3872413 0.80 CYP1A2 (0.57) CYP3A4TSHRTRPV1GAAALOX15
SCHEMBL12899344 0.80 CYP1A2 (0.57) CYP3A4TSHRTRPV1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146112-A Capsaicin molecule with optical activity and synthesis method and application thereof 南京理工大学 2024-06-07 CN claimed
CN-118146112-B Capsaicin molecule with optical activity and synthesis method and application thereof 南京理工大学 2025-11-18 CN disclosed
CN-118146112-A Capsaicin molecule with optical activity and synthesis method and application thereof 南京理工大学 2024-06-07 CN disclosed
CN-118146112-A Capsaicin molecule with optical activity and synthesis method and application thereof 南京理工大学 2024-06-07 CN disclosed