SCHEMBL9624503

SCHEMBL9624503

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ NR1I2 O75469 5/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ SLC22A11 Q9NSA0 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ PGR P06401 2/20 0.42
▸ TDP1 Q9NUW8 7/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL9624500 1.00 ABCB11 (0.49) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9517351 0.94 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9517347 0.94 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9481592 0.94 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9481597 0.94 PTGS1 (0.53) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9705424 0.91 ABCB11 (0.45) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9705428 0.91 ABCB11 (0.45) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL10366301 0.90 PTGS1 (0.48) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9622995 0.90 PTGS1 (0.48) ABCB11PTGS1PDE4DNR1I2HTR2C
SCHEMBL9623029 0.90 PTGS1 (0.48) ABCB11PTGS1PDE4DNR1I2HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0145906-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-11 — — EP disclosed
US-4622318-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-11 — — US disclosed
EP-0145906-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-26 — — EP disclosed
Send feedback