SCHEMBL28930331

SCHEMBL28930331

Cc1ccc(-c2ccsc2-c2ccc(C(=O)c3ccc(-c4sccc4-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.60
PTGS1 P23219 8/20 0.59
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SRD5A2 P31213 1/20 0.47
ESR1 P03372 1/20 0.43

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
SCHEMBL28228496 0.86 PTGS2 (0.71) PTGS2PTGS1
Ammonia Solution, Strong SCHEMBL23908216 0.84 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL1661929 0.77 PTGS1 (0.71) PTGS2PTGS1
SCHEMBL10014118 0.75 ALDH1A1 (0.84) ALDH1A1LMNASRD5A2
SCHEMBL13356677 0.75 ALDH1A1 (0.84) ALDH1A1LMNASRD5A2
SCHEMBL19651362 0.75 ALDH1A1 (0.84) ALDH1A1LMNASRD5A2
SCHEMBL19651365 0.75 ALDH1A1 (0.84) ALDH1A1LMNASRD5A2
SCHEMBL6454990 0.75 ALDH1A1 (0.84) ALDH1A1LMNASRD5A2
SCHEMBL29066920 0.74 ALDH1A1 (0.67) ALDH1A1LMNASRD5A2
SCHEMBL28080232 0.73 MEN1 (0.49) PTGS1ALDH1A1LMNASRD5A2

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-109843941-B Control of polymer network structure by nanogels 科罗拉多大学董事会,法人团体 2021-11-26 CN disclosed