SCHEMBL29080641

SCHEMBL29080641

OCCC(S)CSCC(S)CCO

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
THRB P10828 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
SCHEMBL16215033 0.80
SCHEMBL41554 0.78
SCHEMBL538872 0.77
SCHEMBL7712053 0.74 NR1I2 (0.37) NR1I2ALDH1A1LMNACYP1A2HTT
SCHEMBL3391572 0.74 NR1I2 (0.37) NR1I2ALDH1A1LMNACYP1A2HTT
SCHEMBL3910942 0.74 NR1I2 (0.37) NR1I2ALDH1A1LMNACYP1A2HTT
SCHEMBL8422642 0.71 NR1I2 (0.35) NR1I2ALDH1A1LMNACYP1A2HTT
SCHEMBL28572154 0.69 NR1I2 (0.33) NR1I2ALDH1A1LMNACYP1A2HTT
SCHEMBL3014609 0.69
SCHEMBL8991826 0.69 NR1I2 (0.41) NR1I2ALDH1A1LMNACYP1A2HTT

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-116606414-A Optical material composition, optical material and optical lens 益丰新材料股份有限公司 2023-08-18 CN disclosed