SCHEMBL31599192

SCHEMBL31599192

COc1ccc(CSO)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.60
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APP P05067 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CALM1 P0DP23 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAOA P21397 1/20 0.47

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
SCHEMBL62037 0.81 IDO1 (0.59) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL769511 0.81 IDO1 (0.59) IDO1ALDH1A1TP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL5797813 0.79 IDO1 (0.60) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1145768 0.79 IDO1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6624910 0.79 IDO1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6571602 0.78 IDO1 (0.67) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL1145765 0.77 ALDH1A1 (0.57) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7377840 0.77 IDO1 (0.58) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL190895 0.77 IDO1 (0.55) IDO1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL23961327 0.77 CALM1 (0.63) IDO1SMN1; SMN2APPCALM1AGXT

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
CN-120064645-A SERS probe combination and kit and method for identifying and/or quantifying platelet-adhesive CTC 复旦大学附属中山医院 2025-05-30 CN disclosed