SCHEMBL28674355

SCHEMBL28674355

CC(C)c1ccccc1OP(O)(O)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
LMNA P02545 3/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL10904797 0.89 GABRA1 (0.42) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL11777722 0.85 GABRA1 (0.44) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL258294 0.84 GABRA1 (0.40) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL29829682 0.84 GABRA1 (0.40) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL28495756 0.82 TSHR (0.50) GABRA1GABRB2LMNATSHRALDH1A1
SCHEMBL29613140 0.81 INPPL1 (0.52) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL2475805 0.81 GABRA1 (0.42) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL224271 0.81 INPPL1 (0.52) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL8016123 0.81 GABRA1 (0.38) GABRA1GABRB2LMNACYP1A2TSHR
SCHEMBL10782078 0.81 GABRA1 (0.38) GABRA1GABRB2LMNACYP1A2TSHR

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-114867827-A Lubricating oil composition for automobile gears 壳牌润滑油日本株式会社 2022-08-05 CN disclosed
CN-113631692-A Grease composition 出光兴产株式会社 2021-11-09 CN disclosed