SCHEMBL10796262

SCHEMBL10796262

C/C=C\C1=C(C(=O)OC(C)OC(C)=O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ MAPT P10636 5/20 0.61
▸ NR1I2 O75469 5/20 0.61
▸ ALB P02768 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ SLC22A8 Q8TCC7 1/20 0.61
▸ SLC22A11 Q9NSA0 1/20 0.61
▸ TDP1 Q9NUW8 7/20 0.60
▸ APEX1 P27695 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ABCC4 O15439 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ POLB P06746 1/20 0.60

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
SCHEMBL10797276 1.00 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10796268 1.00 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10797281 1.00 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10796609 1.00 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10796614 1.00 PTGS1 (0.67) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10792889 0.94 PTGS1 (0.59) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10490128 0.94 PTGS1 (0.59) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10490197 0.94 PTGS1 (0.59) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10490195 0.94 PTGS1 (0.59) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL10490127 0.94 PTGS1 (0.59) PTGS1ABCB11PDE4DMAPTNR1I2

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-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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