SCHEMBL28650356

SCHEMBL28650356

CCCCOCCOP(O)(=S)OCCOCCCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CYP3A4 P08684 2/20 0.57
LPAR3 Q9UBY5 12/20 0.47
LPAR2 Q9HBW0 10/20 0.47
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR1 Q92633 8/20 0.43
LPAR6 P43657 3/20 0.43
LPAR4 Q99677 3/20 0.43
LPAR5 Q9H1C0 3/20 0.43
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL30271665 0.98 TSHR (0.55) TSHRCYP3A4LPAR3LPAR2MEN1
SCHEMBL28654573 0.87 LPAR3 (0.63) TSHRCYP3A4LPAR3LPAR2MEN1
SCHEMBL28650355 0.86 LPAR3 (0.40) TSHRCYP3A4LPAR3LPAR2MEN1
SCHEMBL39671 0.86 LPAR3 (0.60) TSHRCYP3A4LPAR3LPAR2LPAR1
Ammonia Solution, Strong SCHEMBL28668970 0.85 LPAR3 (0.61) TSHRCYP3A4LPAR3LPAR2MEN1
Ammonia Solution, Strong SCHEMBL30271664 0.84 LPAR3 (0.39) TSHRCYP3A4LPAR3LPAR2MEN1
SCHEMBL11679350 0.84 LPAR3 (0.58) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL7270116 0.84 LPAR3 (0.58) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL11677437 0.84 LPAR3 (0.58) TSHRCYP3A4LPAR3LPAR2LPAR1
SCHEMBL11675452 0.84 LPAR3 (0.58) TSHRCYP3A4LPAR3LPAR2LPAR1

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-113680535-B Alkyl ether group dithiophosphate collecting agent and preparation method and application thereof 中南大学 2023-03-21 CN disclosed
CN-113680535-A Alkyl ether group dithiophosphate collecting agent and preparation method and application thereof 中南大学 2021-11-23 CN disclosed