SCHEMBL23229304

SCHEMBL23229304

CS(C1=CC=CCC1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.33
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
EZH2 Q15910 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL20962093 0.90
SCHEMBL23208264 0.88
SCHEMBL23252700 0.84 GAA (0.36) ALDH1A1HPGD
SCHEMBL14325966 0.76 HPGD (0.45) MMP13MMP8MMP3ALDH1A1HPGD
SCHEMBL22365120 0.74 SMN1; SMN2 (0.41) MMP13MMP8MMP3ALDH1A1HPGD
SCHEMBL14325967 0.74 ALDH1A1 (0.42) MMP13MMP8MMP3ALDH1A1HPGD
SCHEMBL24592682 0.73
SCHEMBL21943334 0.71 GAA (0.31)
SCHEMBL13476262 0.69 HPGD (0.33) ALDH1A1HPGDMAOAMAOB
SCHEMBL18601834 0.68 HTR6 (0.46) ALDH1A1

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
WO-2021070491-A1 PHOTOCURABLE COMPOSITION FOR NANOIMPRINTING サンアプロ株式会社 2021-04-15 WO disclosed