SCHEMBL29036115

SCHEMBL29036115

CSc1ccc2c(c1)C(=O)c1cc(SC)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.46
BCL2 P10415 4/20 0.46
ALDH1A1 P00352 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
S100A4 P26447 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
UGT1A1 P22309 1/20 0.39
MAP2K7 O14733 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL9811057 0.92 ELANE (0.53) MCL1BCL2ALDH1A1ELANEKDM4E
SCHEMBL11294862 0.89 ELANE (0.55) MCL1BCL2ALDH1A1ELANEMAPT
SCHEMBL9811063 0.88 PPARG (0.40) MCL1BCL2ALDH1A1MAPTESR1
SCHEMBL21348196 0.85 BCL2 (0.56) MCL1BCL2ELANEMAPTHPGD
SCHEMBL9685867 0.85 S100A4 (0.57) MCL1BCL2S100A4ESR1ESR2
SCHEMBL9239364 0.84 BCL2 (0.47) MCL1BCL2ALDH1A1ELANEMAPT
SCHEMBL9685898 0.82 BCL2 (0.39) MCL1BCL2ALDH1A1ELANEKDM4E
SCHEMBL9684776 0.81 TTR (0.60) MCL1ALDH1A1GAAMAPTHPGD
SCHEMBL23945629 0.80 MAOA (0.50) MAOAMAOB
SCHEMBL9641876 0.80 MAPT (0.55) MCL1BCL2ALDH1A1KDM4EGAA

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-116444345-A Method for preparing fluorenyl dihydric alcohol by utilizing sulfonic acid type ionic liquid catalysis 郑州中科新兴产业技术研究院 2023-07-18 CN disclosed