SCHEMBL30412917

SCHEMBL30412917

COP(=S)(OC)Oc1ccc(SSc2ccc(OP(=S)(OC)OC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 3/20 0.50
FBP1 P09467 1/20 0.39
STS P08842 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
Temefos SCHEMBL23303378 0.88 LMNA (0.53) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
Temefos SCHEMBL44105 0.88 LMNA (0.53) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
Temefos SCHEMBL6388031 0.86 LMNA (0.51) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
Temefos SCHEMBL8741692 0.86 LMNA (0.51) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL11061618 0.86 ALDH1A1 (0.57) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
Temefos SCHEMBL15553439 0.81 LMNA (0.51) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
Temefos SCHEMBL10455340 0.81 LMNA (0.47) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL12558192 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL11477739 0.77 LMNA (0.55) CYP3A4ALDH1A1HSD17B10LMNAMAPK1
SCHEMBL10962339 0.76 LMNA (0.43) CYP3A4ALDH1A1HSD17B10LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116108554-A Whole-ship finite element batch calculation and post-processing method 天津大学 2023-05-12 CN claimed
CN-119705473-A Rear wheel active steering control method and system based on model prediction and reinforcement learning 奇瑞汽车股份有限公司 2025-03-28 CN disclosed
CN-116108554-A Whole-ship finite element batch calculation and post-processing method 天津大学 2023-05-12 CN disclosed