SCHEMBL9622995

SCHEMBL9622995

CC(C)ON=C(C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ NR1I2 O75469 5/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ PPARG P37231 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ ESR1 P03372 2/20 0.43
▸ PGR P06401 2/20 0.43
▸ TDP1 Q9NUW8 7/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL9623029 1.00 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10366301 1.00 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9622693 0.94 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9622690 0.94 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9365530 0.94 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL10374364 0.94 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9365535 0.94 PTGS1 (0.48) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9323661 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9602433 0.94 PTGS1 (0.44) PTGS1ABCB11PDE4DNR1I2HTR2C
SCHEMBL9602436 0.94 PTGS1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238060-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS Banyu Pharmaceutical Co., Ltd. (JP) 1992-01-08 — — EP disclosed
US-4814328-A Cephalosporin derivatives, and antibacterial agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-03-21 — — US disclosed
US-4782155-A ISOQUINOLINE SALTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 — — US disclosed
EP-0238060-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 — — EP disclosed
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