SCHEMBL11650995

SCHEMBL11650995

COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3cccc(NS(C)(=O)=O)c3)[C@H]2SC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.59
▸ ALDH1A1 P00352 7/20 0.59
▸ HSD17B10 Q99714 7/20 0.59
▸ MAPT P10636 7/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ SLC15A2 Q16348 3/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ BLM P54132 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ KDM4E B2RXH2 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NR1I2 O75469 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56

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
SCHEMBL11650999 1.00 PTGS1 (0.59) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11650095 0.92 ALDH1A1 (0.51) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11650091 0.92 ALDH1A1 (0.51) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cefsumide SCHEMBL30688405 0.89 HSD17B10 (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cefsumide SCHEMBL612272 0.89 HSD17B10 (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
Cefsumide SCHEMBL11217305 0.89 HSD17B10 (0.75) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11652221 0.88 ALDH1A1 (0.74) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11652216 0.88 ALDH1A1 (0.74) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11655020 0.88 ALDH1A1 (0.74) PTGS1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL11385352 0.88 PTGS1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4069324-A CEPHALOSPORIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-01-17 — — US claimed
US-4069324-A CEPHALOSPORIN ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1978-01-17 — — US disclosed
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