SCHEMBL28526383

SCHEMBL28526383

O=C(O)CNCC(CS)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.55
ACE P12821 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
ECE1 P42892 1/20 0.55
BLM P54132 1/20 0.55
NPEPPS P55786 1/20 0.55
KMT2A Q03164 1/20 0.55
CPA3 P15088 1/20 0.49
FOLH1 Q04609 1/20 0.49
MMP2 P08253 1/20 0.46
CTRB1 P17538 1/20 0.45

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
SCHEMBL10925267 0.77 MMP2 (0.59) MMEMMP2
SCHEMBL19358484 0.76 ACE (0.39) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8973724 0.74 ANPEP (0.60) MMECPA3FOLH1CTRB1
SCHEMBL11343254 0.72 MME (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3844471 0.72 MME (0.42) MMEACEALDH1A1HPGDMAPK1
SCHEMBL8522559 0.72 MME (0.60) MMECPA3FOLH1
SCHEMBL28443386 0.71 ANPEP (0.52) MMEACEALDH1A1HPGDMAPK1
(R)-Thiorphan SCHEMBL7312756 0.71 MME (1.00) MMEACEALDH1A1HPGDMAPK1
(S)-Thiorphan SCHEMBL49662 0.71 MME (1.00) MMEACEALDH1A1HPGDMAPK1
Thiorphan SCHEMBL401174 0.71 MME (1.00) MMEACEALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112495347-B Treatment method of oily heavy metal wastewater 浙江海洋大学 2022-07-08 CN claimed
CN-112495347-A Treatment method of oily heavy metal wastewater 浙江海洋大学 2021-03-16 CN claimed
CN-112495347-B Treatment method of oily heavy metal wastewater 浙江海洋大学 2022-07-08 CN disclosed
CN-112495347-B Treatment method of oily heavy metal wastewater 浙江海洋大学 2022-07-08 CN disclosed
CN-112495347-A Treatment method of oily heavy metal wastewater 浙江海洋大学 2021-03-16 CN disclosed
CN-112495347-A Treatment method of oily heavy metal wastewater 浙江海洋大学 2021-03-16 CN disclosed