SCHEMBL11583209

SCHEMBL11583209

COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccccc3)[C@H]2SC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.83
▸ ALDH1A1 P00352 7/20 0.72
▸ HSD17B10 Q99714 6/20 0.72
▸ MAPT P10636 6/20 0.72
▸ KMT2A Q03164 5/20 0.72
▸ TDP1 Q9NUW8 4/20 0.72
▸ CYP3A4 P08684 3/20 0.72
▸ HPGD P15428 3/20 0.72
▸ SLC15A2 Q16348 3/20 0.72
▸ BLM P54132 1/20 0.72
▸ CYP2C19 P33261 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ ADRA1A P35348 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ KDM4E B2RXH2 4/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ NR1I2 O75469 3/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ ADORA3 P0DMS8 1/20 0.69

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
SCHEMBL11231884 1.00 PTGS1 (0.83) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11583212 1.00 PTGS1 (0.83) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11231880 1.00 PTGS1 (0.83) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11235785 0.94 PTGS1 (0.73) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL10552664 0.94 MAPT (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL10552674 0.94 MAPT (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11874716 0.91 PTGS1 (0.70) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11874725 0.91 PTGS1 (0.70) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cephaloglycin SCHEMBL10703211 0.91 PTGS1 (1.00) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cephaloglycin SCHEMBL11635204 0.91 PTGS1 (1.00) PTGS1ALDH1A1HSD17B10MAPTKMT2A

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-4113591-A BROMINATION IN PRESENCE OF ULTRAVIOLET RADIATION, VISIBLE LIGHT, OR GAMMA RAYS GLAXO LABORATORIES LIMITED (GB) 1978-09-12 — — US disclosed
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