SCHEMBL9807370

SCHEMBL9807370

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(NC(=O)OCc3ccccc3)c3ccc(O)cc3)[C@H]2SC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.64
▸ HSD17B10 Q99714 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ SLC15A2 Q16348 2/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ SLC22A6 Q4U2R8 1/20 0.64
▸ SLC22A8 Q8TCC7 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ MAPK1 P28482 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ BLM P54132 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ PLCG1 P19174 1/20 0.52
▸ PTGS1 P23219 1/20 0.51

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
SCHEMBL9807357 1.00 KMT2A (0.64) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11080633 0.96 ALDH1A1 (0.64) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11852853 0.90 HSD17B10 (0.59) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11079544 0.88 PLCG1 (0.55) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL17238853 0.85 MAPK1 (0.74) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11592032 0.84 PLCG1 (0.74) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11079715 0.84 PLCG1 (0.53) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11078627 0.83 KMT2A (0.67) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL11078633 0.83 KMT2A (0.67) KMT2AHSD17B10MAPTMEN1SLC15A2
SCHEMBL10995415 0.82 PTGS1 (0.60) KMT2AHSD17B10MAPTMEN1SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003064-A Method for the preparation of monohydrate BIOCHIMICA OPOS SPA (IT) 1991-03-26 — — US disclosed
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