SCHEMBL9360311

SCHEMBL9360311

O=C(OC(c1ccccc1)c1ccccc1)C1=C(CCl)CS[C@@H]2[C@H](NC(=O)/C(=N/OC(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

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
▸ 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
▸ ESR1 P03372 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ TDP1 Q9NUW8 7/20 0.40
▸ APEX1 P27695 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 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
SCHEMBL9360317 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9735345 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9735351 1.00 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9792197 0.96 NR1I2 (0.47) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9792192 0.96 NR1I2 (0.47) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9361214 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9361222 0.94 PTGS1 (0.43) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9323661 0.93 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9602433 0.93 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2MAPT
SCHEMBL9622995 0.93 PTGS1 (0.48) 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
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
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