SCHEMBL9145033

SCHEMBL9145033

COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3C(NC(=O)/C(=N\O[C@@H](C)C(=O)OC(c4ccccc4)c4ccccc4)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)C(=O)N23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ NR1I2 O75469 6/20 0.42
▸ MAPT P10636 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ SLC22A11 Q9NSA0 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ TDP1 Q9NUW8 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ ABCC4 O15439 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL9145036 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9603042 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9603037 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9602411 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL15500660 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9602791 0.96 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9603046 0.96 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9148713 0.93 NR1I2 (0.42) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9148715 0.93 NR1I2 (0.42) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9463115 0.92 NR1I2 (0.40) PTGS1ABCB11PDE4DNR1I2MAPT

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-5464829-A Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1995-11-07 — — US disclosed
EP-0605836-A1 Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1994-07-13 — — EP disclosed
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