SCHEMBL11288008

SCHEMBL11288008

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)C2SC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SLC15A2 Q16348 3/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ BLM P54132 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ SCN9A Q15858 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
SCHEMBL10841038 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10841031 0.92 ALDH1A1 (0.47) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11672426 0.91 HSD17B10 (0.66) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11672428 0.91 HSD17B10 (0.66) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11840913 0.91 HSD17B10 (0.66) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10975191 0.91 ALDH1A1 (0.58) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10805858 0.90 SCN9A (0.46) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11584984 0.90 ALDH1A1 (0.45) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL10805852 0.90 SCN9A (0.46) ALDH1A1HSD17B10KMT2AMAPTSLC15A2
SCHEMBL11586929 0.90 ALDH1A1 (0.45) ALDH1A1HSD17B10KMT2AMAPTSLC15A2

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
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307233-A ANTIBACTERIAL AGENTS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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