SCHEMBL9818993

SCHEMBL9818993

CCC(=O)OCC(S)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL22721833 0.84 ALDH1A1 (0.42) NAAACYP3A4TSHRATMTDP1
SCHEMBL11323121 0.81 ALDH1A1 (0.43) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL3871761 0.81 NAAA (0.44) NAAACYP3A4TSHRATMTDP1
SCHEMBL6300411 0.79
SCHEMBL11323123 0.79
SCHEMBL6300191 0.77 NAAA (0.53) NAAACYP3A4TSHRATMTDP1
SCHEMBL3628331 0.76 TSHR (0.52) NAAACYP3A4TSHRATMTDP1
SCHEMBL14191352 0.76 TSHR (0.52) NAAACYP3A4TSHRATMTDP1
SCHEMBL31187667 0.76 NAAA (0.38) NAAACYP3A4TSHRATMTDP1
SCHEMBL992127 0.74 KDM4E (0.44) NAAACYP3A4TSHRATMTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068124-A Method with preparation of graft copolymers by two staged aqueous emulsion polymerization ROHM & HAAS (US) 1993-01-20 CN claimed
EP-0234129-B1 BONDED PHASE OF SILICA FOR SOLID PHASE EXTRACTION J.T. BAKER INC. (US) 1991-02-20 EP disclosed