SCHEMBL9205686

SCHEMBL9205686

[NH]C(=O)COc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.65
MAOB P27338 2/20 0.56
AOC3 Q16853 1/20 0.56
FKBP1A P62942 1/20 0.55
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
NOTUM Q6P988 2/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
FFAR1 O14842 1/20 0.48
NR4A2 P43354 1/20 0.48
ENPP2 Q13822 1/20 0.47

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
SCHEMBL523934 0.84 LMNA (0.64) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL29447016 0.84 LMNA (0.64) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL29590819 0.84 WDR5 (0.62) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL1308577 0.84 WDR5 (0.62) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL9205693 0.82 WDR5 (0.70) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL11280610 0.82 WDR5 (0.60) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL10967871 0.80 CYP3A4 (0.50) ALDH1A1LMNAFFAR1
SCHEMBL10655455 0.79 WDR5 (0.57) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL10655453 0.79 WDR5 (0.57) WDR5MAOBAOC3FKBP1ARXRA
SCHEMBL8470558 0.79 WDR5 (0.56) WDR5MAOBAOC3FKBP1ARXRA

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-0341694-B1 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KK (JP) 1995-09-06 EP disclosed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed
EP-0341694-A2 Method for production of 3-exomethylenecepham derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1989-11-15 EP disclosed
US-4031084-A Process for cephalosporin antibiotic intermediates ELI LILLY AND COMPANY (US) 1977-06-21 US disclosed