SCHEMBL29901626

SCHEMBL29901626

c1ccc(SC[Si](CSc2ccccc2)(CSc2ccccc2)CSc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.57
FFAR1 O14842 1/20 0.46
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2C9 P11712 2/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MGLL Q99685 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NISCH Q9Y2I1 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL15638476 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL23532477 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL113038 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL2420674 0.79 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL2420121 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL23532572 0.74 NPC1 (0.48) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL1956668 0.74 MAOA (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL11727752 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL776647 0.73 ALDH1A1 (1.00) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL777671 0.73 ALDH1A1 (0.67) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4

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
US-20230051031-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON SEPIOLITE FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2023-02-16 US disclosed
US-20230034883-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON NATURAL CLAYS FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION CONSIGLIO NAZIONALE DELLE RICERCHE (60%) (IT) 2023-02-02 US disclosed
EP-4076729-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON NATURAL CLAYS FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION Consiglio Nazionale Delle Ricerche (IT) 2022-10-26 EP disclosed
EP-4076730-A1 MULTI-FUNCTIONAL HYBRID MATERIAL BASED ON SEPIOLITE FOR ENVIRONMENTAL RECOVERY AND BIO-REMEDIATION Consiglio Nazionale Delle Ricerche (IT) 2022-10-26 EP disclosed