SCHEMBL30992008

SCHEMBL30992008

NC(=O)C=CCCC=CC(N)=O.O=C(O)C=CCCC=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
GABRR1 P24046 2/20 0.52
GABRR2 P28476 2/20 0.52
BLM P54132 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
GABRR3 A8MPY1 1/20 0.52
LMNA P02545 1/20 0.52
APEX1 P27695 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
TBXAS1 P24557 4/20 0.38
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL167052 0.89 ALDH1A1 (0.37) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL8461708 0.86 PPARA (0.38) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL9726354 0.86 TSHR (0.58) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL273087 0.86 TSHR (0.58) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL8551677 0.83 TSHR (0.55) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL8551672 0.83 TSHR (0.55) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL1873474 0.79
SCHEMBL943834 0.79 TAS1R3 (0.45) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL944831 0.79 TAS1R3 (0.45) TSHRGABRR1GABRR2BLMTDP1
SCHEMBL1873475 0.79

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-118434791-A Silicone monomer, contact lens composition and contact lens 晶硕光学股份有限公司 2024-08-02 CN disclosed