SCHEMBL10972628

SCHEMBL10972628

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ MAPT P10636 6/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SLC15A2 Q16348 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ NR1I2 O75469 1/20 0.39

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
SCHEMBL10972624 1.00 PTGS1 (0.41) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11280645 0.88 ALDH1A1 (0.41) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11280641 0.88 ALDH1A1 (0.41) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL10976564 0.85 CTDSP1 (0.45) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL10976568 0.85 CTDSP1 (0.45) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL10975733 0.84 L3MBTL1 (0.49) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL10975731 0.84 L3MBTL1 (0.49) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL10978448 0.83 ALDH1A1 (0.55) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11080094 0.83 PTGS1 (0.42) PTGS1ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11030510 0.83 PTGS1 (0.42) PTGS1ALDH1A1MAPTHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520193-A Cephalosporin derivatives RHONE-POULENC INDUSTRIES (FR) 1985-05-28 — — US claimed
US-4520193-A Cephalosporin derivatives RHONE-POULENC INDUSTRIES (FR) 1985-05-28 — — US disclosed
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