SCHEMBL31307643

SCHEMBL31307643

COC(=O)[C@@H](CO)NC(=O)[C@@H](N)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.46
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TGFBR1 P36897 2/20 0.39
OPRK1 P41145 1/20 0.38
BIRC2 Q13490 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL31307607 1.00 MME (0.46) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL23058790 0.89 MME (0.41) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL23055167 0.89 MME (0.41) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL27182865 0.86 MME (0.45) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL16668245 0.86 MME (0.53) MMEBIRC2
SCHEMBL31307586 0.85 MME (0.50) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL371120 0.85 MME (0.50) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8475947 0.85 MME (0.50) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL31754261 0.83 DPP7 (0.53) BIRC2
SCHEMBL17465619 0.82 CYP2C9 (0.53) ALDH1A1CYP2C9CYP2C19

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
CN-119301105-A Thiostrepton-based compounds for the treatment of cancer and preparation thereof RS肿瘤学有限责任公司 2025-01-10 CN disclosed