SCHEMBL11802087

SCHEMBL11802087

COC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)[C@H]2SC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.76
▸ HSD17B10 Q99714 7/20 0.76
▸ MAPT P10636 7/20 0.76
▸ KMT2A Q03164 6/20 0.76
▸ CYP3A4 P08684 4/20 0.76
▸ HPGD P15428 3/20 0.76
▸ TDP1 Q9NUW8 3/20 0.76
▸ SLC15A2 Q16348 3/20 0.76
▸ CYP2C19 P33261 2/20 0.76
▸ BLM P54132 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ ADRA1A P35348 1/20 0.76
▸ HTR2B P41595 1/20 0.76
▸ KDM4E B2RXH2 5/20 0.73
▸ MEN1 O00255 5/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ LMNA P02545 2/20 0.73
▸ NR1I2 O75469 2/20 0.73
▸ ADORA3 P0DMS8 2/20 0.73
▸ CTDSP1 Q9GZU7 1/20 0.73

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
SCHEMBL11231581 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11055755 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11154449 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11045122 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11154468 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL10811020 1.00 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
Water SCHEMBL11324180 0.99 HSD17B10 (0.77) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL10840101 0.99 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL10839225 0.92 MAPT (0.77) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL10839231 0.92 MAPT (0.77) ALDH1A1HSD17B10MAPTKMT2ACYP3A4

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-3962036-A PROCESS FOR THE MANUFACTURE OF 7-AMINO-CEPHALOSPORANIC ACID-TYPE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1976-06-08 — — US disclosed
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