SCHEMBL10516499

SCHEMBL10516499

C=C(ON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(=O)OC(C)(C)C

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 5/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ TDP1 Q9NUW8 7/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALB P02768 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ APEX1 P27695 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL9622714 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9622713 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10516494 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10516998 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9623461 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9734327 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10516991 0.95 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL5712680 0.91 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL5712682 0.91 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9201934 0.91 NR1I2 (0.47) PTGS1ABCB11PDE4DNR1I2HTR2C

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
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 — — EP disclosed
Send feedback