SCHEMBL9147236

SCHEMBL9147236

CCOC(=O)CCCCCCCCCC[SiH2]C(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.42
DGKA P23743 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 2/20 0.39
PAM P19021 2/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 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
SCHEMBL9705690 0.86 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL29028328 0.85 HTR2C (0.47) CYP1A2TSHRDGKAMAPT
SCHEMBL29028318 0.81 HTR2C (0.42) CYP1A2ALDH1A1KMT2ADGKAMAPT
SCHEMBL478006 0.80 THRB (0.36) LMNA
SCHEMBL19066941 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL494584 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL495925 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL440349 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL1483107 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4
SCHEMBL33870 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1ALOX15TDP1CYP3A4

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
US-5463058-A Light, heat and oxidation stabilizers for synthetic polymers CIBA-GEIGY CORPORATION (US) 1995-10-31 US disclosed